(1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol

C15H26O — CID 122525723

IUPAC(1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol
SMILESC=C1CCC(O)[C@@H](C)CC[C@@H]2[C@@H]1CC2(C)C
InChIInChI=1S/C15H26O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h11-14,16H,1,5-9H2,2-4H3/t11-,12+,13+,14?/m0/s1
InChIKeyQELLKMAQROACFQ-OANWKOAXSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds

About (1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol

(1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol (PubChem CID 122525723) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol.

Molecular Properties

Compound Name(1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol
PubChem CID122525723
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol
SMILESC=C1CCC(O)[C@@H](C)CC[C@@H]2[C@@H]1CC2(C)C
InChIInChI=1S/C15H26O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h11-14,16H,1,5-9H2,2-4H3/t11-,12+,13+,14?/m0/s1
InChIKeyQELLKMAQROACFQ-OANWKOAXSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol?
The IUPAC name of (1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol (CID 122525723) is (1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol.
What is the SMILES notation for (1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol?
The canonical SMILES for (1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol is C=C1CCC(O)[C@@H](C)CC[C@@H]2[C@@H]1CC2(C)C.
What is the InChIKey of (1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol?
The InChIKey is QELLKMAQROACFQ-OANWKOAXSA-N. The full InChI is InChI=1S/C15H26O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h11-14,16H,1,5-9H2,2-4H3/t11-,12+,13+,14?/m0/s1.
What are the key properties of (1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol?
(1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol has a molecular weight of 222.37 g/mol, XLogP of 3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol is sourced from PubChem (CID 122525723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).