4-propylcyclohexa-1,3-dien-1-ol

C9H14O — CID 129018446

IUPAC4-propylcyclohexa-1,3-dien-1-ol
SMILESCCCC1=CC=C(O)CC1
InChIInChI=1S/C9H14O/c1-2-3-8-4-6-9(10)7-5-8/h4,6,10H,2-3,5,7H2,1H3
InChIKeyJHXOBRFYPBPBRF-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.95
Rot. Bonds2

About 4-propylcyclohexa-1,3-dien-1-ol

4-propylcyclohexa-1,3-dien-1-ol (PubChem CID 129018446) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-propylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-propylcyclohexa-1,3-dien-1-ol
PubChem CID129018446
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name4-propylcyclohexa-1,3-dien-1-ol
SMILESCCCC1=CC=C(O)CC1
InChIInChI=1S/C9H14O/c1-2-3-8-4-6-9(10)7-5-8/h4,6,10H,2-3,5,7H2,1H3
InChIKeyJHXOBRFYPBPBRF-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-propylcyclohexa-1,3-dien-1-ol (CID 129018446) is 4-propylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-propylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-propylcyclohexa-1,3-dien-1-ol is CCCC1=CC=C(O)CC1.
What is the InChIKey of 4-propylcyclohexa-1,3-dien-1-ol?
The InChIKey is JHXOBRFYPBPBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-3-8-4-6-9(10)7-5-8/h4,6,10H,2-3,5,7H2,1H3.
What are the key properties of 4-propylcyclohexa-1,3-dien-1-ol?
4-propylcyclohexa-1,3-dien-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 129018446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).