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

C10H16O — CID 143644050

IUPAC3-butylcyclohexa-1,3-dien-1-ol
SMILESCCCCC1=CCCC(O)=C1
InChIInChI=1S/C10H16O/c1-2-3-5-9-6-4-7-10(11)8-9/h6,8,11H,2-5,7H2,1H3
InChIKeyXYTJMQRAMIZREJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.34
Rot. Bonds3

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

3-butylcyclohexa-1,3-dien-1-ol (PubChem CID 143644050) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-butylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-butylcyclohexa-1,3-dien-1-ol
PubChem CID143644050
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-butylcyclohexa-1,3-dien-1-ol
SMILESCCCCC1=CCCC(O)=C1
InChIInChI=1S/C10H16O/c1-2-3-5-9-6-4-7-10(11)8-9/h6,8,11H,2-5,7H2,1H3
InChIKeyXYTJMQRAMIZREJ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-butylcyclohexa-1,3-dien-1-ol (CID 143644050) is 3-butylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-butylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-butylcyclohexa-1,3-dien-1-ol is CCCCC1=CCCC(O)=C1.
What is the InChIKey of 3-butylcyclohexa-1,3-dien-1-ol?
The InChIKey is XYTJMQRAMIZREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-3-5-9-6-4-7-10(11)8-9/h6,8,11H,2-5,7H2,1H3.
What are the key properties of 3-butylcyclohexa-1,3-dien-1-ol?
3-butylcyclohexa-1,3-dien-1-ol has a molecular weight of 152.24 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 143644050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).