3-butylcyclohexa-1,5-dien-1-ol

C10H16O — CID 175919772

IUPAC3-butylcyclohexa-1,5-dien-1-ol
SMILESCCCCC1C=C(O)C=CC1
InChIInChI=1S/C10H16O/c1-2-3-5-9-6-4-7-10(11)8-9/h4,7-9,11H,2-3,5-6H2,1H3
InChIKeyQABFSCRARWBOII-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.19
Rot. Bonds3

About 3-butylcyclohexa-1,5-dien-1-ol

3-butylcyclohexa-1,5-dien-1-ol (PubChem CID 175919772) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-butylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3-butylcyclohexa-1,5-dien-1-ol
PubChem CID175919772
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-butylcyclohexa-1,5-dien-1-ol
SMILESCCCCC1C=C(O)C=CC1
InChIInChI=1S/C10H16O/c1-2-3-5-9-6-4-7-10(11)8-9/h4,7-9,11H,2-3,5-6H2,1H3
InChIKeyQABFSCRARWBOII-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Methyl-5-propan-2-ylcyclohexa-1,5-dien-1-ol
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(3E,5E)-6-cyclohexyl-2-methylhepta-3,5-dien-2-ol
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(3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol
CID 118715382
(3E)-6-[(1S)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol
CID 162867196
(3E,5E)-6-[(1S,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol
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3,8-Dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol
CID 163186211
3-Methyl-3-propan-2-ylcyclohexa-1,5-dien-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-butylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 3-butylcyclohexa-1,5-dien-1-ol (CID 175919772) is 3-butylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3-butylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3-butylcyclohexa-1,5-dien-1-ol is CCCCC1C=C(O)C=CC1.
What is the InChIKey of 3-butylcyclohexa-1,5-dien-1-ol?
The InChIKey is QABFSCRARWBOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-3-5-9-6-4-7-10(11)8-9/h4,7-9,11H,2-3,5-6H2,1H3.
What are the key properties of 3-butylcyclohexa-1,5-dien-1-ol?
3-butylcyclohexa-1,5-dien-1-ol has a molecular weight of 152.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 175919772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).