(1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol

C20H32O2 — CID 163191321

IUPAC(1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol
SMILESC=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC[C@@H]2O[C@@]2(C)[C@@H](O)C1
InChIInChI=1S/C20H32O2/c1-14(2)17-11-9-15(3)7-6-8-16(4)10-12-19-20(5,22-19)18(21)13-17/h8-9,17-19,21H,1,6-7,10-13H2,2-5H3/b15-9+,16-8+/t17-,18+,19+,20+/m1/s1
InChIKeyWRTAVCMHCGQYIV-RJOYBFITSA-N
MW304.47 g/mol
LogP4.94
Rot. Bonds1

About (1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol

(1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol (PubChem CID 163191321) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol.

Molecular Properties

Compound Name(1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol
PubChem CID163191321
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol
SMILESC=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC[C@@H]2O[C@@]2(C)[C@@H](O)C1
InChIInChI=1S/C20H32O2/c1-14(2)17-11-9-15(3)7-6-8-16(4)10-12-19-20(5,22-19)18(21)13-17/h8-9,17-19,21H,1,6-7,10-13H2,2-5H3/b15-9+,16-8+/t17-,18+,19+,20+/m1/s1
InChIKeyWRTAVCMHCGQYIV-RJOYBFITSA-N
XLogP4.94
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
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 (1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol with MolForge

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Launch Full Analysis

Related Compounds

Incensole
CID 44583885
Oxiranemethanol, 3-methyl-3-(4-methyl-3-pentenyl)-
CID 530403
1,5,9-Trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol
CID 73228441
(1S,3R,5R,7S,8E,12R,13R)-5,9,13-trimethyl-1-propan-2-yl-4,16-dioxatricyclo[11.2.1.03,5]hexadec-8-ene-7,12-diol
CID 122196280
(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
Shiromool
CID 91746548
15-Oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol, 12-isopropyl-1,5,9-trimethyl-
CID 9904641
(1S,3R,5R,8E,12R,13R)-5,9,13-trimethyl-1-propan-2-yl-4,16-dioxatricyclo[11.2.1.03,5]hexadec-8-en-12-ol
CID 122196279
(1R,2R,5E,9E,12S)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol
CID 132583591
[(1S,4S,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol
CID 155526464
[(1S,4R,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-8,10-dien-4-yl]methanol
CID 155557334
(1S,3S,4Z,6E,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-3-ol
CID 23424635

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol?
The IUPAC name of (1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol (CID 163191321) is (1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol.
What is the SMILES notation for (1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol?
The canonical SMILES for (1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol is C=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC[C@@H]2O[C@@]2(C)[C@@H](O)C1.
What is the InChIKey of (1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol?
The InChIKey is WRTAVCMHCGQYIV-RJOYBFITSA-N. The full InChI is InChI=1S/C20H32O2/c1-14(2)17-11-9-15(3)7-6-8-16(4)10-12-19-20(5,22-19)18(21)13-17/h8-9,17-19,21H,1,6-7,10-13H2,2-5H3/b15-9+,16-8+/t17-,18+,19+,20+/m1/s1.
What are the key properties of (1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol?
(1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol has a molecular weight of 304.47 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,6E,10E,14S)-1,7,11-trimethyl-4-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-2-ol is sourced from PubChem (CID 163191321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).