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

C15H26O2 — CID 11379431

IUPAC(1S,2S,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESC/C(=C/CC[C@@]1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1O)CO
InChIInChI=1S/C15H26O2/c1-11(10-16)5-4-7-15(3)12-6-8-14(2,9-12)13(15)17/h5,12-13,16-17H,4,6-10H2,1-3H3/b11-5-/t12-,13+,14+,15+/m1/s1
InChIKeyHXGLSGRFISFKKO-YHYSHLEESA-N
MW238.37 g/mol
LogP2.89
Rot. Bonds4

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

(1S,2S,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-dimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 11379431) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2S,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-dimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2S,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-dimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID11379431
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2S,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-dimethylbicyclo[2.2.1]heptan-2-ol
SMILESC/C(=C/CC[C@@]1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1O)CO
InChIInChI=1S/C15H26O2/c1-11(10-16)5-4-7-15(3)12-6-8-14(2,9-12)13(15)17/h5,12-13,16-17H,4,6-10H2,1-3H3/b11-5-/t12-,13+,14+,15+/m1/s1
InChIKeyHXGLSGRFISFKKO-YHYSHLEESA-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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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-dimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2S,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-dimethylbicyclo[2.2.1]heptan-2-ol (CID 11379431) is (1S,2S,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-dimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2S,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-dimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2S,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-dimethylbicyclo[2.2.1]heptan-2-ol is C/C(=C/CC[C@@]1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1O)CO.
What is the InChIKey of (1S,2S,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-dimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is HXGLSGRFISFKKO-YHYSHLEESA-N. The full InChI is InChI=1S/C15H26O2/c1-11(10-16)5-4-7-15(3)12-6-8-14(2,9-12)13(15)17/h5,12-13,16-17H,4,6-10H2,1-3H3/b11-5-/t12-,13+,14+,15+/m1/s1.
What are the key properties of (1S,2S,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-dimethylbicyclo[2.2.1]heptan-2-ol?
(1S,2S,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-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,3S,4R)-3-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,3-dimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 11379431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).