(3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol

C15H26O — CID 163022954

IUPAC(3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
SMILESC=C[C@@](C)(O)CC[C@H]1C(=C)CCCC1(C)C
InChIInChI=1S/C15H26O/c1-6-15(5,16)11-9-13-12(2)8-7-10-14(13,3)4/h6,13,16H,1-2,7-11H2,3-5H3/t13-,15+/m0/s1
InChIKeyAGPMIYKLQKQYMC-DZGCQCFKSA-N
MW222.37 g/mol
LogP4.09
Rot. Bonds4

About (3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol

(3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol (PubChem CID 163022954) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol.

Molecular Properties

Compound Name(3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
PubChem CID163022954
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol
SMILESC=C[C@@](C)(O)CC[C@H]1C(=C)CCCC1(C)C
InChIInChI=1S/C15H26O/c1-6-15(5,16)11-9-13-12(2)8-7-10-14(13,3)4/h6,13,16H,1-2,7-11H2,3-5H3/t13-,15+/m0/s1
InChIKeyAGPMIYKLQKQYMC-DZGCQCFKSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.09
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 (3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol?
The IUPAC name of (3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol (CID 163022954) is (3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol.
What is the SMILES notation for (3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol?
The canonical SMILES for (3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol is C=C[C@@](C)(O)CC[C@H]1C(=C)CCCC1(C)C.
What is the InChIKey of (3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol?
The InChIKey is AGPMIYKLQKQYMC-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H26O/c1-6-15(5,16)11-9-13-12(2)8-7-10-14(13,3)4/h6,13,16H,1-2,7-11H2,3-5H3/t13-,15+/m0/s1.
What are the key properties of (3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol?
(3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol has a molecular weight of 222.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-1-en-3-ol is sourced from PubChem (CID 163022954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).