(1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol

C15H26O — CID 6429047

IUPAC(1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol
SMILESC=C1CC[C@H](O)C(=C)CCCC(C)(C)CC1
InChIInChI=1S/C15H26O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h14,16H,1-2,5-11H2,3-4H3/t14-/m0/s1
InChIKeyMRNBNSIHBSPJFJ-AWEZNQCLSA-N
MW222.37 g/mol
LogP4.23
Rot. Bonds

About (1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol

(1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol (PubChem CID 6429047) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol.

Molecular Properties

Compound Name(1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol
PubChem CID6429047
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol
SMILESC=C1CC[C@H](O)C(=C)CCCC(C)(C)CC1
InChIInChI=1S/C15H26O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h14,16H,1-2,5-11H2,3-4H3/t14-/m0/s1
InChIKeyMRNBNSIHBSPJFJ-AWEZNQCLSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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10,10-Dimethyl-2,6-dimethylenebicyclo[7.2.0]undecan-5-ol
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7-Octene-1,6-diol, 3,7-dimethyl-
CID 90790
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(1R,2E,6E,11R)-4,4,7,11-tetramethylcycloundeca-2,6-dien-1-ol
CID 145971354
2-Methyl-2-(prop-1-EN-2-YL)cyclohexan-1-OL
CID 37894
1-(2,6,6-Trimethylcyclohex-1-enyl)ethanol
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CID 57340577

Frequently Asked Questions

What is the IUPAC name of (1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol?
The IUPAC name of (1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol (CID 6429047) is (1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol.
What is the SMILES notation for (1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol?
The canonical SMILES for (1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol is C=C1CC[C@H](O)C(=C)CCCC(C)(C)CC1.
What is the InChIKey of (1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol?
The InChIKey is MRNBNSIHBSPJFJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h14,16H,1-2,5-11H2,3-4H3/t14-/m0/s1.
What are the key properties of (1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol?
(1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol is sourced from PubChem (CID 6429047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).