(1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol

C14H22O2 — CID 11276101

IUPAC(1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol
SMILESC=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)O
InChIInChI=1S/C14H22O2/c1-9-4-5-12-14(3,16-12)7-6-11-10(9)8-13(11,2)15/h10-12,15H,1,4-8H2,2-3H3/t10-,11-,12-,13-,14-/m0/s1
InChIKeyFDXOLTKNPDKRPV-PEDHHIEDSA-N
MW222.33 g/mol
LogP2.66
Rot. Bonds

About (1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol

(1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol (PubChem CID 11276101) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol.

Molecular Properties

Compound Name(1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol
PubChem CID11276101
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol
SMILESC=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)O
InChIInChI=1S/C14H22O2/c1-9-4-5-12-14(3,16-12)7-6-11-10(9)8-13(11,2)15/h10-12,15H,1,4-8H2,2-3H3/t10-,11-,12-,13-,14-/m0/s1
InChIKeyFDXOLTKNPDKRPV-PEDHHIEDSA-N
XLogP2.66
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.66
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,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol with MolForge

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Launch Full Analysis

Related Compounds

Caryophyllene oxide
CID 1742210
4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane
CID 14350
beta-Caryophyllene epoxide
CID 6604672
(1R,4R,5R,9S)-4,5-epoxycaryophyllan-8(13)-ene
CID 1742211
Suberosol B
CID 10444136
Caryophyllenepoxid
CID 11908458
14-Hydroxycaryophyllene oxide
CID 155791
Suberosol A
CID 10014356
7,8-Epoxy-1(12)-caryophyllene-9beta-ol
CID 10354120
[(1R,4R,6R,10S,12R)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-yl]methanol
CID 14543497
[(1R,4R,6R,10S,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-yl]methanol
CID 21672189
(1R,4S,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane
CID 9991037

Frequently Asked Questions

What is the IUPAC name of (1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol?
The IUPAC name of (1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol (CID 11276101) is (1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol.
What is the SMILES notation for (1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol?
The canonical SMILES for (1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol is C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1C[C@]2(C)O.
What is the InChIKey of (1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol?
The InChIKey is FDXOLTKNPDKRPV-PEDHHIEDSA-N. The full InChI is InChI=1S/C14H22O2/c1-9-4-5-12-14(3,16-12)7-6-11-10(9)8-13(11,2)15/h10-12,15H,1,4-8H2,2-3H3/t10-,11-,12-,13-,14-/m0/s1.
What are the key properties of (1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol?
(1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol has a molecular weight of 222.33 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecan-12-ol is sourced from PubChem (CID 11276101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).