(1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol

C13H24O — CID 158468471

IUPAC(1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol
SMILESC=C[C@@H](C)[C@@H]1C[C@H](CC)[C@H](C)C[C@@H]1O
InChIInChI=1S/C13H24O/c1-5-9(3)12-8-11(6-2)10(4)7-13(12)14/h5,9-14H,1,6-8H2,2-4H3/t9-,10-,11+,12+,13+/m1/s1
InChIKeyHGBBHBHTCUUCGP-BNDIWNMDSA-N
MW196.33 g/mol
LogP3.24
Rot. Bonds3

About (1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol

(1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol (PubChem CID 158468471) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol
PubChem CID158468471
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol
SMILESC=C[C@@H](C)[C@@H]1C[C@H](CC)[C@H](C)C[C@@H]1O
InChIInChI=1S/C13H24O/c1-5-9(3)12-8-11(6-2)10(4)7-13(12)14/h5,9-14H,1,6-8H2,2-4H3/t9-,10-,11+,12+,13+/m1/s1
InChIKeyHGBBHBHTCUUCGP-BNDIWNMDSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol with MolForge

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Related Compounds

1-ethyl-2-methylcyclopropane;2-methylpropane
CID 155747981
5-but-3-en-2-yl-4-methyloxolan-2-ol
CID 130150445
(E,2S,3S)-2-[(1R,2S,4R,5S)-5-ethyl-2,4-dimethylcyclohexyl]hex-4-en-3-ol
CID 158753261
ethane;1-ethyl-2-methylcyclopropane;propane
CID 142903717
2-butan-2-yl-4,5-dimethylcyclohexan-1-ol
CID 58534205
2,5-dimethyl-4-(2-nitrosobut-3-enyl)cyclohexan-1-ol
CID 142051752
(2R)-2-ethylcyclopropan-1-ol
CID 173498082
1,2-diethyl-4-methyl-5-propan-2-ylcyclohexane;ethane
CID 142876952
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol
CID 23443116
1-methyl-2-pent-1-en-3-ylcyclopropane
CID 91325896
(1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol
CID 91437445

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol?
The IUPAC name of (1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol (CID 158468471) is (1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol is C=C[C@@H](C)[C@@H]1C[C@H](CC)[C@H](C)C[C@@H]1O.
What is the InChIKey of (1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol?
The InChIKey is HGBBHBHTCUUCGP-BNDIWNMDSA-N. The full InChI is InChI=1S/C13H24O/c1-5-9(3)12-8-11(6-2)10(4)7-13(12)14/h5,9-14H,1,6-8H2,2-4H3/t9-,10-,11+,12+,13+/m1/s1.
What are the key properties of (1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol?
(1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol is sourced from PubChem (CID 158468471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).