2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol

C15H26O2 — CID 163078869

IUPAC2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol
SMILESC=C[C@]1(CO)CC[C@@H](C(C)(C)O)C[C@H]1C(=C)C
InChIInChI=1S/C15H26O2/c1-6-15(10-16)8-7-12(14(4,5)17)9-13(15)11(2)3/h6,12-13,16-17H,1-2,7-10H2,3-5H3/t12-,13+,15-/m1/s1
InChIKeyUSJQEHIEUGYOFY-VNHYZAJKSA-N
MW238.37 g/mol
LogP2.91
Rot. Bonds4

About 2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol

2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol (PubChem CID 163078869) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol.

Molecular Properties

Compound Name2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol
PubChem CID163078869
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol
SMILESC=C[C@]1(CO)CC[C@@H](C(C)(C)O)C[C@H]1C(=C)C
InChIInChI=1S/C15H26O2/c1-6-15(10-16)8-7-12(14(4,5)17)9-13(15)11(2)3/h6,12-13,16-17H,1-2,7-10H2,3-5H3/t12-,13+,15-/m1/s1
InChIKeyUSJQEHIEUGYOFY-VNHYZAJKSA-N
XLogP2.91
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 ≤ 52.91
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 2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol?
The IUPAC name of 2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol (CID 163078869) is 2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol.
What is the SMILES notation for 2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol?
The canonical SMILES for 2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol is C=C[C@]1(CO)CC[C@@H](C(C)(C)O)C[C@H]1C(=C)C.
What is the InChIKey of 2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol?
The InChIKey is USJQEHIEUGYOFY-VNHYZAJKSA-N. The full InChI is InChI=1S/C15H26O2/c1-6-15(10-16)8-7-12(14(4,5)17)9-13(15)11(2)3/h6,12-13,16-17H,1-2,7-10H2,3-5H3/t12-,13+,15-/m1/s1.
What are the key properties of 2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol?
2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol has a molecular weight of 238.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S,4R)-4-ethenyl-4-(hydroxymethyl)-3-prop-1-en-2-ylcyclohexyl]propan-2-ol is sourced from PubChem (CID 163078869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).