(2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane

C34H58O — CID 163047153

IUPAC(2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-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=C(\C)CC[C@@H](C)C(=C)CC[C@H](C)C(=C)C
InChIInChI=1S/C34H58O/c1-24(2)27(6)18-20-30(9)29(8)17-16-26(5)14-13-15-33-34(12,35-33)23-22-32(11)31(10)21-19-28(7)25(3)4/h14,27-29,32-33H,1,3,9-10,13,15-23H2,2,4-8,11-12H3/b26-14+/t27-,28+,29+,32+,33+,34-/m0/s1
InChIKeyKYDXBRSKIBXHJY-OVWNDYISSA-N
MW482.84 g/mol
LogP10.80
Rot. Bonds19

About (2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane

(2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane (PubChem CID 163047153) has the molecular formula C34H58O and a molecular weight of 482.84 g/mol. Its IUPAC name is (2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane.

Molecular Properties

Compound Name(2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane
PubChem CID163047153
Molecular FormulaC34H58O
Molecular Weight482.84 g/mol
Exact Mass482.45
IUPAC Name(2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-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=C(\C)CC[C@@H](C)C(=C)CC[C@H](C)C(=C)C
InChIInChI=1S/C34H58O/c1-24(2)27(6)18-20-30(9)29(8)17-16-26(5)14-13-15-33-34(12,35-33)23-22-32(11)31(10)21-19-28(7)25(3)4/h14,27-29,32-33H,1,3,9-10,13,15-23H2,2,4-8,11-12H3/b26-14+/t27-,28+,29+,32+,33+,34-/m0/s1
InChIKeyKYDXBRSKIBXHJY-OVWNDYISSA-N
XLogP10.80
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.84
LogP ≤ 510.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane?
The IUPAC name of (2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane (CID 163047153) is (2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane.
What is the SMILES notation for (2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane?
The canonical SMILES for (2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-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=C(\C)CC[C@@H](C)C(=C)CC[C@H](C)C(=C)C.
What is the InChIKey of (2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane?
The InChIKey is KYDXBRSKIBXHJY-OVWNDYISSA-N. The full InChI is InChI=1S/C34H58O/c1-24(2)27(6)18-20-30(9)29(8)17-16-26(5)14-13-15-33-34(12,35-33)23-22-32(11)31(10)21-19-28(7)25(3)4/h14,27-29,32-33H,1,3,9-10,13,15-23H2,2,4-8,11-12H3/b26-14+/t27-,28+,29+,32+,33+,34-/m0/s1.
What are the key properties of (2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane?
(2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane has a molecular weight of 482.84 g/mol, XLogP of 10.80, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-3-[(3E,7R,11S)-4,7,11,12-tetramethyl-8-methylidenetrideca-3,12-dienyl]-2-[(3R,7R)-3,7,8-trimethyl-4-methylidenenon-8-enyl]oxirane is sourced from PubChem (CID 163047153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).