(2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane

C34H58O2 — CID 162996030

IUPAC(2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane
SMILESC=C(C)[C@H](C)CCC(=C)[C@H](C)CC[C@]1(C)O[C@H]1CC[C@@H]1O[C@@]1(C)CC[C@@H](C)C(=C)CC[C@H](C)C(=C)C
InChIInChI=1S/C34H58O2/c1-23(2)25(5)13-15-27(7)29(9)19-21-33(11)31(35-33)17-18-32-34(12,36-32)22-20-30(10)28(8)16-14-26(6)24(3)4/h25-26,29-32H,1,3,7-8,13-22H2,2,4-6,9-12H3/t25-,26+,29-,30-,31+,32+,33+,34+/m1/s1
InChIKeyVLNDRZCVAMLVJF-OFZDVSKBSA-N
MW498.84 g/mol
LogP10.01
Rot. Bonds19

About (2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane

(2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane (PubChem CID 162996030) has the molecular formula C34H58O2 and a molecular weight of 498.84 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane
PubChem CID162996030
Molecular FormulaC34H58O2
Molecular Weight498.84 g/mol
Exact Mass498.44
IUPAC Name(2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane
SMILESC=C(C)[C@H](C)CCC(=C)[C@H](C)CC[C@]1(C)O[C@H]1CC[C@@H]1O[C@@]1(C)CC[C@@H](C)C(=C)CC[C@H](C)C(=C)C
InChIInChI=1S/C34H58O2/c1-23(2)25(5)13-15-27(7)29(9)19-21-33(11)31(35-33)17-18-32-34(12,36-32)22-20-30(10)28(8)16-14-26(6)24(3)4/h25-26,29-32H,1,3,7-8,13-22H2,2,4-6,9-12H3/t25-,26+,29-,30-,31+,32+,33+,34+/m1/s1
InChIKeyVLNDRZCVAMLVJF-OFZDVSKBSA-N
XLogP10.01
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.84
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane with MolForge

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Launch Full Analysis

Related Compounds

2-Methyl-2-(4-methyl-pent-3-enyl)-3-[(3E,7E)-3,8,12-trimethyl-14-(3-methyl-oxiranyl)-tetradeca-3,7-dienyl]-oxirane
CID 44306332
(1S,4R,6S,8S,11E,15S)-1,8,12-trimethyl-4-prop-1-en-2-yl-7,16-dioxatricyclo[13.1.0.06,8]hexadec-11-ene
CID 101316745
(1R,4S,6S,9S,11R)-1,6-dimethyl-9-prop-1-en-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecane
CID 171348924
(2R,3R)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl]ethyl]-2-[(4R,8R)-4,8,12-trimethyltridecyl]oxirane
CID 100923630
diepoxycembrene A
CID 163008483
Squalene dioxide
CID 87695084
(1R,4E,8E,12S,14R)-1,5,9-trimethyl-12-(2-methyloxiran-2-yl)-15-oxabicyclo[12.1.0]pentadeca-4,8-diene
CID 5472850
(2S,3S)-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]-2-(4-methylpent-3-enyl)oxirane
CID 71725636
2-(4,8-Dimethylnona-3,7-dienyl)-3-[2-[3-[2-[3-[2-(3,3-dimethyloxiran-2-yl)ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxirane
CID 91008561
(2S,3S)-2-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-2-methyl-3-[2-[(2R,3R)-2-methyl-3-[2-[(2R,3R)-3-methyl-3-[2-[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxiran-2-yl]ethyl]oxirane
CID 101489559
tert-butyl-[4-[(2R,3R)-3-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]but-1-en-2-yloxy]-dimethylsilane
CID 101508864
(2S,3S)-2-methyl-2-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]-3-pentyloxirane
CID 135074701

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane?
The IUPAC name of (2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane (CID 162996030) is (2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane.
What is the SMILES notation for (2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane?
The canonical SMILES for (2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane is C=C(C)[C@H](C)CCC(=C)[C@H](C)CC[C@]1(C)O[C@H]1CC[C@@H]1O[C@@]1(C)CC[C@@H](C)C(=C)CC[C@H](C)C(=C)C.
What is the InChIKey of (2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane?
The InChIKey is VLNDRZCVAMLVJF-OFZDVSKBSA-N. The full InChI is InChI=1S/C34H58O2/c1-23(2)25(5)13-15-27(7)29(9)19-21-33(11)31(35-33)17-18-32-34(12,36-32)22-20-30(10)28(8)16-14-26(6)24(3)4/h25-26,29-32H,1,3,7-8,13-22H2,2,4-6,9-12H3/t25-,26+,29-,30-,31+,32+,33+,34+/m1/s1.
What are the key properties of (2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane?
(2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane has a molecular weight of 498.84 g/mol, XLogP of 10.01, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3-[2-[(2S,3S)-3-methyl-3-[(3R,7S)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxiran-2-yl]ethyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane is sourced from PubChem (CID 162996030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).