3-cyclohexa-1,3-dien-1-ylbutan-1-ol

C10H16O — CID 123563743

IUPAC3-cyclohexa-1,3-dien-1-ylbutan-1-ol
SMILESCC(CCO)C1=CC=CCC1
InChIInChI=1S/C10H16O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-3,5,9,11H,4,6-8H2,1H3
InChIKeyRQWAGEAEYHLKSV-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.28
Rot. Bonds3

About 3-cyclohexa-1,3-dien-1-ylbutan-1-ol

3-cyclohexa-1,3-dien-1-ylbutan-1-ol (PubChem CID 123563743) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-ylbutan-1-ol.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-ylbutan-1-ol
PubChem CID123563743
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-cyclohexa-1,3-dien-1-ylbutan-1-ol
SMILESCC(CCO)C1=CC=CCC1
InChIInChI=1S/C10H16O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-3,5,9,11H,4,6-8H2,1H3
InChIKeyRQWAGEAEYHLKSV-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-ylbutan-1-ol?
The IUPAC name of 3-cyclohexa-1,3-dien-1-ylbutan-1-ol (CID 123563743) is 3-cyclohexa-1,3-dien-1-ylbutan-1-ol.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-ylbutan-1-ol?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-ylbutan-1-ol is CC(CCO)C1=CC=CCC1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-ylbutan-1-ol?
The InChIKey is RQWAGEAEYHLKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-3,5,9,11H,4,6-8H2,1H3.
What are the key properties of 3-cyclohexa-1,3-dien-1-ylbutan-1-ol?
3-cyclohexa-1,3-dien-1-ylbutan-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-ylbutan-1-ol is sourced from PubChem (CID 123563743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).