5-propylcyclohexa-1,3-dien-1-ol

C9H14O — CID 142071341

IUPAC5-propylcyclohexa-1,3-dien-1-ol
SMILESCCCC1C=CC=C(O)C1
InChIInChI=1S/C9H14O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-6,8,10H,2,4,7H2,1H3
InChIKeyXTDBHKNRCWLSNS-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.80
Rot. Bonds2

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

5-propylcyclohexa-1,3-dien-1-ol (PubChem CID 142071341) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-propylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-propylcyclohexa-1,3-dien-1-ol
PubChem CID142071341
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name5-propylcyclohexa-1,3-dien-1-ol
SMILESCCCC1C=CC=C(O)C1
InChIInChI=1S/C9H14O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-6,8,10H,2,4,7H2,1H3
InChIKeyXTDBHKNRCWLSNS-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-propylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-propylcyclohexa-1,3-dien-1-ol (CID 142071341) is 5-propylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-propylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-propylcyclohexa-1,3-dien-1-ol is CCCC1C=CC=C(O)C1.
What is the InChIKey of 5-propylcyclohexa-1,3-dien-1-ol?
The InChIKey is XTDBHKNRCWLSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-4-8-5-3-6-9(10)7-8/h3,5-6,8,10H,2,4,7H2,1H3.
What are the key properties of 5-propylcyclohexa-1,3-dien-1-ol?
5-propylcyclohexa-1,3-dien-1-ol has a molecular weight of 138.21 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 142071341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).