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

C15H24O — CID 11564800

IUPAC2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-en-1-ol
SMILESC=C[C@]1(C)CC[C@@H](C(=C)CO)C[C@H]1C(=C)C
InChIInChI=1S/C15H24O/c1-6-15(5)8-7-13(12(4)10-16)9-14(15)11(2)3/h6,13-14,16H,1-2,4,7-10H2,3,5H3/t13-,14+,15-/m1/s1
InChIKeyKNLJFYVIVVSUNJ-QLFBSQMISA-N
MW220.36 g/mol
LogP3.72
Rot. Bonds4

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

2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-en-1-ol (PubChem CID 11564800) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-en-1-ol
PubChem CID11564800
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-en-1-ol
SMILESC=C[C@]1(C)CC[C@@H](C(=C)CO)C[C@H]1C(=C)C
InChIInChI=1S/C15H24O/c1-6-15(5)8-7-13(12(4)10-16)9-14(15)11(2)3/h6,13-14,16H,1-2,4,7-10H2,3,5H3/t13-,14+,15-/m1/s1
InChIKeyKNLJFYVIVVSUNJ-QLFBSQMISA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.72
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 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-en-1-ol?
The IUPAC name of 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-en-1-ol (CID 11564800) is 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-en-1-ol.
What is the SMILES notation for 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-en-1-ol?
The canonical SMILES for 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-en-1-ol is C=C[C@]1(C)CC[C@@H](C(=C)CO)C[C@H]1C(=C)C.
What is the InChIKey of 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-en-1-ol?
The InChIKey is KNLJFYVIVVSUNJ-QLFBSQMISA-N. The full InChI is InChI=1S/C15H24O/c1-6-15(5)8-7-13(12(4)10-16)9-14(15)11(2)3/h6,13-14,16H,1-2,4,7-10H2,3,5H3/t13-,14+,15-/m1/s1.
What are the key properties of 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-en-1-ol?
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-en-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-en-1-ol is sourced from PubChem (CID 11564800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).