1-pentoxycyclohexene

C11H20O — CID 70636801

IUPAC1-pentoxycyclohexene
SMILESCCCCCOC1=CCCCC1
InChIInChI=1S/C11H20O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h8H,2-7,9-10H2,1H3
InChIKeyNULVUQQEOZNQNB-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.65
Rot. Bonds5

About 1-pentoxycyclohexene

1-pentoxycyclohexene (PubChem CID 70636801) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-pentoxycyclohexene.

Molecular Properties

Compound Name1-pentoxycyclohexene
PubChem CID70636801
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-pentoxycyclohexene
SMILESCCCCCOC1=CCCCC1
InChIInChI=1S/C11H20O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h8H,2-7,9-10H2,1H3
InChIKeyNULVUQQEOZNQNB-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-pentoxycyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pentoxycyclohexene?
The IUPAC name of 1-pentoxycyclohexene (CID 70636801) is 1-pentoxycyclohexene.
What is the SMILES notation for 1-pentoxycyclohexene?
The canonical SMILES for 1-pentoxycyclohexene is CCCCCOC1=CCCCC1.
What is the InChIKey of 1-pentoxycyclohexene?
The InChIKey is NULVUQQEOZNQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h8H,2-7,9-10H2,1H3.
What are the key properties of 1-pentoxycyclohexene?
1-pentoxycyclohexene has a molecular weight of 168.28 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxycyclohexene is sourced from PubChem (CID 70636801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).