(1S)-1-cyclohexylbuta-2,3-dien-1-ol

C10H16O — CID 10986438

IUPAC(1S)-1-cyclohexylbuta-2,3-dien-1-ol
SMILESC=C=C[C@@H](O)C1CCCCC1
InChIInChI=1S/C10H16O/c1-2-6-10(11)9-7-4-3-5-8-9/h6,9-11H,1,3-5,7-8H2/t10-/m1/s1
InChIKeyVWIZIXVRCHGPIP-SNVBAGLBSA-N
MW152.24 g/mol
LogP2.27
Rot. Bonds2

About (1S)-1-cyclohexylbuta-2,3-dien-1-ol

(1S)-1-cyclohexylbuta-2,3-dien-1-ol (PubChem CID 10986438) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S)-1-cyclohexylbuta-2,3-dien-1-ol.

Molecular Properties

Compound Name(1S)-1-cyclohexylbuta-2,3-dien-1-ol
PubChem CID10986438
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1S)-1-cyclohexylbuta-2,3-dien-1-ol
SMILESC=C=C[C@@H](O)C1CCCCC1
InChIInChI=1S/C10H16O/c1-2-6-10(11)9-7-4-3-5-8-9/h6,9-11H,1,3-5,7-8H2/t10-/m1/s1
InChIKeyVWIZIXVRCHGPIP-SNVBAGLBSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.27
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
1-Cyclohexyl-2-buten-1-ol (c,t)
CID 5358342
trans-1(7),8-p-Menthadien-2-ol
CID 6428442
beta,4-Bis(methylene)cyclohexaneethanol
CID 34627
2-(Prop-2-en-1-yl)cyclohexan-1-ol
CID 11789291
FT-0671749
CID 11400874
4-Ethyloct-1-en-3-ol
CID 93920
1-Cyclohexyl-2-propen-1-ol
CID 138196
cis-1(7),8-p-Menthadien-2-ol
CID 6428440
(A+/-)-trans-2-allyl-cyclohexanol
CID 10909657

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexylbuta-2,3-dien-1-ol?
The IUPAC name of (1S)-1-cyclohexylbuta-2,3-dien-1-ol (CID 10986438) is (1S)-1-cyclohexylbuta-2,3-dien-1-ol.
What is the SMILES notation for (1S)-1-cyclohexylbuta-2,3-dien-1-ol?
The canonical SMILES for (1S)-1-cyclohexylbuta-2,3-dien-1-ol is C=C=C[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexylbuta-2,3-dien-1-ol?
The InChIKey is VWIZIXVRCHGPIP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16O/c1-2-6-10(11)9-7-4-3-5-8-9/h6,9-11H,1,3-5,7-8H2/t10-/m1/s1.
What are the key properties of (1S)-1-cyclohexylbuta-2,3-dien-1-ol?
(1S)-1-cyclohexylbuta-2,3-dien-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexylbuta-2,3-dien-1-ol is sourced from PubChem (CID 10986438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).