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

C13H22O — CID 170039515

IUPAC[(1S,3R,4R)-1-ethenyl-3-methyl-4-prop-1-en-2-ylcyclohexyl]methanol
SMILESC=C[C@]1(CO)CC[C@@H](C(=C)C)[C@H](C)C1
InChIInChI=1S/C13H22O/c1-5-13(9-14)7-6-12(10(2)3)11(4)8-13/h5,11-12,14H,1-2,6-9H2,3-4H3/t11-,12+,13+/m1/s1
InChIKeyLFRFCDWOBWVHFQ-AGIUHOORSA-N
MW194.32 g/mol
LogP3.16
Rot. Bonds3

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

[(1S,3R,4R)-1-ethenyl-3-methyl-4-prop-1-en-2-ylcyclohexyl]methanol (PubChem CID 170039515) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is [(1S,3R,4R)-1-ethenyl-3-methyl-4-prop-1-en-2-ylcyclohexyl]methanol.

Molecular Properties

Compound Name[(1S,3R,4R)-1-ethenyl-3-methyl-4-prop-1-en-2-ylcyclohexyl]methanol
PubChem CID170039515
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name[(1S,3R,4R)-1-ethenyl-3-methyl-4-prop-1-en-2-ylcyclohexyl]methanol
SMILESC=C[C@]1(CO)CC[C@@H](C(=C)C)[C@H](C)C1
InChIInChI=1S/C13H22O/c1-5-13(9-14)7-6-12(10(2)3)11(4)8-13/h5,11-12,14H,1-2,6-9H2,3-4H3/t11-,12+,13+/m1/s1
InChIKeyLFRFCDWOBWVHFQ-AGIUHOORSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.16
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

[(1S,2S,5R)-2-methyl-5-prop-1-en-2-ylcyclopentyl]methanol
CID 129321353
(2-methyl-5-prop-1-en-2-ylcyclopentyl)methanol
CID 12634580
(4-ethenylpiperidin-4-yl)methanol
CID 146049241
2-(1-ethenyl-4-methylcyclohexyl)acetic acid
CID 165456909
trans-(1S,2S)-1-methyl-2-prop-1-en-2-ylcyclohexane
CID 163550244
[(1S,3R,4R)-1,3,4-trimethylcyclohexyl]methanol
CID 129322383
(1R,4R)-4-prop-1-en-2-yl-6-oxabicyclo[3.1.1]heptan-1-amine
CID 146204588
(2S,5S,6S)-2-ethenyl-2-methyl-6-(2-methylpropyl)-5-prop-1-en-2-yloxane
CID 53310182
4-ethenyl-4-ethyl-1,2-dimethylpiperidine
CID 167284042
(3-methyl-5-prop-1-en-2-yloxan-4-yl)methanol
CID 130142594
2-(1-ethenyl-4-methylcyclohexyl)acetaldehyde
CID 130026349
[(1S,3R,4R)-1-ethenyl-4-prop-1-en-2-yl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexyl]methyl formate
CID 168854743

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-1-ethenyl-3-methyl-4-prop-1-en-2-ylcyclohexyl]methanol?
The IUPAC name of [(1S,3R,4R)-1-ethenyl-3-methyl-4-prop-1-en-2-ylcyclohexyl]methanol (CID 170039515) is [(1S,3R,4R)-1-ethenyl-3-methyl-4-prop-1-en-2-ylcyclohexyl]methanol.
What is the SMILES notation for [(1S,3R,4R)-1-ethenyl-3-methyl-4-prop-1-en-2-ylcyclohexyl]methanol?
The canonical SMILES for [(1S,3R,4R)-1-ethenyl-3-methyl-4-prop-1-en-2-ylcyclohexyl]methanol is C=C[C@]1(CO)CC[C@@H](C(=C)C)[C@H](C)C1.
What is the InChIKey of [(1S,3R,4R)-1-ethenyl-3-methyl-4-prop-1-en-2-ylcyclohexyl]methanol?
The InChIKey is LFRFCDWOBWVHFQ-AGIUHOORSA-N. The full InChI is InChI=1S/C13H22O/c1-5-13(9-14)7-6-12(10(2)3)11(4)8-13/h5,11-12,14H,1-2,6-9H2,3-4H3/t11-,12+,13+/m1/s1.
What are the key properties of [(1S,3R,4R)-1-ethenyl-3-methyl-4-prop-1-en-2-ylcyclohexyl]methanol?
[(1S,3R,4R)-1-ethenyl-3-methyl-4-prop-1-en-2-ylcyclohexyl]methanol has a molecular weight of 194.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-1-ethenyl-3-methyl-4-prop-1-en-2-ylcyclohexyl]methanol is sourced from PubChem (CID 170039515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).