1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol

C20H34O2 — CID 162861303

IUPAC1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol
SMILESCC1=CCC2(C(C)C)CC(C)(O2)C(O)CCCC(C)=CCC1
InChIInChI=1S/C20H34O2/c1-15(2)20-13-12-17(4)9-6-8-16(3)10-7-11-18(21)19(5,14-20)22-20/h8,12,15,18,21H,6-7,9-11,13-14H2,1-5H3
InChIKeyZJTDDBZRNWYHKQ-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.17
Rot. Bonds1

About 1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol

1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol (PubChem CID 162861303) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol.

Molecular Properties

Compound Name1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol
PubChem CID162861303
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol
SMILESCC1=CCC2(C(C)C)CC(C)(O2)C(O)CCCC(C)=CCC1
InChIInChI=1S/C20H34O2/c1-15(2)20-13-12-17(4)9-6-8-16(3)10-7-11-18(21)19(5,14-20)22-20/h8,12,15,18,21H,6-7,9-11,13-14H2,1-5H3
InChIKeyZJTDDBZRNWYHKQ-UHFFFAOYSA-N
XLogP5.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl] acetate
CID 123252803
[(1R,2S,5Z,9Z,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl] acetate
CID 162934789
[(1S,2R,9Z,12R)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl] acetate
CID 177419568
(2Z,6Z)-3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol
CID 90677399
(1S,3Z,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-3,7,11-trien-1-ol
CID 71312555
(1R,4Z,8Z,12S)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 93481800
(4Z)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
CID 139596542
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol
CID 162863170
(1R,2S,5E,11R,12S)-1,5,9-trimethyl-12-[(2S)-2-methyloxiran-2-yl]-15-oxabicyclo[9.3.1]pentadeca-5,9-dien-2-ol
CID 162889096
1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-diene
CID 73209089
(4E,8E,11S,12R)-4,8,11,12,15-pentamethylbicyclo[9.3.1]pentadeca-1(15),4,8-triene
CID 11334785

Frequently Asked Questions

What is the IUPAC name of 1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol?
The IUPAC name of 1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol (CID 162861303) is 1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol.
What is the SMILES notation for 1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol?
The canonical SMILES for 1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol is CC1=CCC2(C(C)C)CC(C)(O2)C(O)CCCC(C)=CCC1.
What is the InChIKey of 1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol?
The InChIKey is ZJTDDBZRNWYHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-15(2)20-13-12-17(4)9-6-8-16(3)10-7-11-18(21)19(5,14-20)22-20/h8,12,15,18,21H,6-7,9-11,13-14H2,1-5H3.
What are the key properties of 1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol?
1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol has a molecular weight of 306.49 g/mol, XLogP of 5.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,10-trimethyl-13-propan-2-yl-14-oxabicyclo[11.1.1]pentadeca-6,10-dien-2-ol is sourced from PubChem (CID 162861303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).