1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol

C14H22O — CID 159691739

IUPAC1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol
SMILESCCCCC(C(O)=C1C=CC=C1)C(C)C
InChIInChI=1S/C14H22O/c1-4-5-10-13(11(2)3)14(15)12-8-6-7-9-12/h6-9,11,13,15H,4-5,10H2,1-3H3
InChIKeyAALSRKHHTPXNQA-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.39
Rot. Bonds5

About 1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol

1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol (PubChem CID 159691739) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol
PubChem CID159691739
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol
SMILESCCCCC(C(O)=C1C=CC=C1)C(C)C
InChIInChI=1S/C14H22O/c1-4-5-10-13(11(2)3)14(15)12-8-6-7-9-12/h6-9,11,13,15H,4-5,10H2,1-3H3
InChIKeyAALSRKHHTPXNQA-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol 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-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol (CID 159691739) is 1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol is CCCCC(C(O)=C1C=CC=C1)C(C)C.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol?
The InChIKey is AALSRKHHTPXNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-5-10-13(11(2)3)14(15)12-8-6-7-9-12/h6-9,11,13,15H,4-5,10H2,1-3H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol?
1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylidene-2-propan-2-ylhexan-1-ol is sourced from PubChem (CID 159691739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).