(1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol

C12H20O — CID 14530451

IUPAC(1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol
SMILESC=C=C(CC)[C@@H](O)C1CCCCC1
InChIInChI=1S/C12H20O/c1-3-10(4-2)12(13)11-8-6-5-7-9-11/h11-13H,1,4-9H2,2H3/t12-/m1/s1
InChIKeyFVWUZWKSIUPSLO-GFCCVEGCSA-N
MW180.29 g/mol
LogP3.05
Rot. Bonds3

About (1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol

(1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol (PubChem CID 14530451) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol
PubChem CID14530451
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol
SMILESC=C=C(CC)[C@@H](O)C1CCCCC1
InChIInChI=1S/C12H20O/c1-3-10(4-2)12(13)11-8-6-5-7-9-11/h11-13H,1,4-9H2,2H3/t12-/m1/s1
InChIKeyFVWUZWKSIUPSLO-GFCCVEGCSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylidene-5-(prop-1-en-2-yl)cyclohexan-1-ol
CID 527427
Cyclohexanol, 2-methylene-5-(1-methylethenyl)-, (1S-cis)-
CID 12642439
cis-p-Mentha-1(7),8-dien-2-ol
CID 6429040
trans-1(7),8-p-Menthadien-2-ol
CID 6428442
beta,4-Bis(methylene)cyclohexaneethanol
CID 34627
p-Menth-1(7)-en-9-ol
CID 564610
7-Octene-1,6-diol, 3,7-dimethyl-
CID 90790
2-(4-Methylcyclohexyl)prop-2-en-1-ol
CID 543946
o-Mentha-1(7),8-dien-3-ol
CID 564552
FT-0671749
CID 11400874
1-Cyclohexyl-2-propen-1-ol
CID 138196
2-Methylidene-5-propan-2-ylcyclohexan-1-ol
CID 12642437

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol?
The IUPAC name of (1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol (CID 14530451) is (1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol.
What is the SMILES notation for (1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol?
The canonical SMILES for (1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol is C=C=C(CC)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol?
The InChIKey is FVWUZWKSIUPSLO-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20O/c1-3-10(4-2)12(13)11-8-6-5-7-9-11/h11-13H,1,4-9H2,2H3/t12-/m1/s1.
What are the key properties of (1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol?
(1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol has a molecular weight of 180.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol is sourced from PubChem (CID 14530451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).