(3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol

C17H30O3 — CID 134966706

IUPAC(3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol
SMILESC/C(=C\CC[C@]1(C)O[C@H]1CO)CC/C=C(\C)C(C)(C)O
InChIInChI=1S/C17H30O3/c1-13(8-6-10-14(2)16(3,4)19)9-7-11-17(5)15(12-18)20-17/h9-10,15,18-19H,6-8,11-12H2,1-5H3/b13-9+,14-10+/t15-,17-/m0/s1
InChIKeyQIZBNFVGHZCDRU-IZSAZWEKSA-N
MW282.42 g/mol
LogP3.36
Rot. Bonds8

About (3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol

(3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol (PubChem CID 134966706) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol.

Molecular Properties

Compound Name(3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol
PubChem CID134966706
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol
SMILESC/C(=C\CC[C@]1(C)O[C@H]1CO)CC/C=C(\C)C(C)(C)O
InChIInChI=1S/C17H30O3/c1-13(8-6-10-14(2)16(3,4)19)9-7-11-17(5)15(12-18)20-17/h9-10,15,18-19H,6-8,11-12H2,1-5H3/b13-9+,14-10+/t15-,17-/m0/s1
InChIKeyQIZBNFVGHZCDRU-IZSAZWEKSA-N
XLogP3.36
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,10-Dimethyl-2-(oxiran-2-yl)undeca-5,9-dien-2-ol
CID 75987722
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-
CID 530403
Linalool oxide (5-ring)
CID 102611
(1R,2E,6S,8S,9S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-9-ol
CID 11844357
Aspinonene
CID 44445586
(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol
CID 10608259
(1R,4E,6R,8R,10E,14R)-1,5,11-trimethyl-8-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol
CID 10756928
[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 10855926
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-, (2S,3S)-
CID 10909994
[(2R,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 11116488
2-(3-Methyloxiran-2-yl)hex-3-ene-1,2,5-triol
CID 78069873
(1S,4E,6S,7Z,10E,14S)-7-(1-hydroxypropan-2-ylidene)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol
CID 15922617

Frequently Asked Questions

What is the IUPAC name of (3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol?
The IUPAC name of (3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol (CID 134966706) is (3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol.
What is the SMILES notation for (3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol?
The canonical SMILES for (3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol is C/C(=C\CC[C@]1(C)O[C@H]1CO)CC/C=C(\C)C(C)(C)O.
What is the InChIKey of (3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol?
The InChIKey is QIZBNFVGHZCDRU-IZSAZWEKSA-N. The full InChI is InChI=1S/C17H30O3/c1-13(8-6-10-14(2)16(3,4)19)9-7-11-17(5)15(12-18)20-17/h9-10,15,18-19H,6-8,11-12H2,1-5H3/b13-9+,14-10+/t15-,17-/m0/s1.
What are the key properties of (3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol?
(3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol has a molecular weight of 282.42 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-10-[(2S,3S)-3-(hydroxymethyl)-2-methyloxiran-2-yl]-2,3,7-trimethyldeca-3,7-dien-2-ol is sourced from PubChem (CID 134966706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).