(1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol

C15H26O2 — CID 162928874

IUPAC(1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESC/C(=C/CC[C@@]1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2)CO
InChIInChI=1S/C15H26O2/c1-11(10-16)5-4-7-14(2)12-6-8-15(14,3)13(17)9-12/h5,12-13,16-17H,4,6-10H2,1-3H3/b11-5-/t12-,13-,14-,15+/m0/s1
InChIKeyFUCSWNUANQRDFQ-MDKDYZFDSA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds4

About (1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol

(1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 162928874) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID162928874
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESC/C(=C/CC[C@@]1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2)CO
InChIInChI=1S/C15H26O2/c1-11(10-16)5-4-7-14(2)12-6-8-15(14,3)13(17)9-12/h5,12-13,16-17H,4,6-10H2,1-3H3/b11-5-/t12-,13-,14-,15+/m0/s1
InChIKeyFUCSWNUANQRDFQ-MDKDYZFDSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 129433767
(1S,2S,4S,7R)-7-[(3S)-3-hydroxy-4-methylpent-4-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 162886605
(E)-5-[(3S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol
CID 175773701
5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol
CID 123668772
2-methyl-5-[(2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
CID 54154316
2-methyl-5-[(2R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
CID 123863985
(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
CID 118978202
(Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
CID 6857681
hydron;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174883808
silver;1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174528917
azane;(1S,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 174585091
(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol
CID 10559466

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol (CID 162928874) is (1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol is C/C(=C/CC[C@@]1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2)CO.
What is the InChIKey of (1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is FUCSWNUANQRDFQ-MDKDYZFDSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(10-16)5-4-7-14(2)12-6-8-15(14,3)13(17)9-12/h5,12-13,16-17H,4,6-10H2,1-3H3/b11-5-/t12-,13-,14-,15+/m0/s1.
What are the key properties of (1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol?
(1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 238.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 162928874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).