[(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol

C15H24O — CID 163082506

IUPAC[(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol
SMILESC=C[C@@]1(CO)CC[C@H](C(=C)C)C[C@@H]1C(=C)C
InChIInChI=1S/C15H24O/c1-6-15(10-16)8-7-13(11(2)3)9-14(15)12(4)5/h6,13-14,16H,1-2,4,7-10H2,3,5H3/t13-,14+,15-/m0/s1
InChIKeyBEWDWUSHVLODOB-ZNMIVQPWSA-N
MW220.36 g/mol
LogP3.72
Rot. Bonds4

About [(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol

[(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol (PubChem CID 163082506) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol
PubChem CID163082506
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol
SMILESC=C[C@@]1(CO)CC[C@H](C(=C)C)C[C@@H]1C(=C)C
InChIInChI=1S/C15H24O/c1-6-15(10-16)8-7-13(11(2)3)9-14(15)12(4)5/h6,13-14,16H,1-2,4,7-10H2,3,5H3/t13-,14+,15-/m0/s1
InChIKeyBEWDWUSHVLODOB-ZNMIVQPWSA-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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Related Compounds

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(4-(Prop-1-en-2-yl)cyclohexyl)methanol
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(2,5,5,8a-Tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)methanol
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(-)-Elema-1,3,11(13)-trien-12-ol
CID 11564800
2-(4-Ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl)propan-2-ol
CID 547972
Costol
CID 12304105
Npc49026
CID 6429032

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol?
The IUPAC name of [(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol (CID 163082506) is [(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol.
What is the SMILES notation for [(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol?
The canonical SMILES for [(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol is C=C[C@@]1(CO)CC[C@H](C(=C)C)C[C@@H]1C(=C)C.
What is the InChIKey of [(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol?
The InChIKey is BEWDWUSHVLODOB-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H24O/c1-6-15(10-16)8-7-13(11(2)3)9-14(15)12(4)5/h6,13-14,16H,1-2,4,7-10H2,3,5H3/t13-,14+,15-/m0/s1.
What are the key properties of [(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol?
[(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol 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 [(1S,2R,4S)-1-ethenyl-2,4-bis(prop-1-en-2-yl)cyclohexyl]methanol is sourced from PubChem (CID 163082506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).