(1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol

C13H22O — CID 89007600

IUPAC(1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol
SMILESCC1=CC/C(=C(/O)CC(C)C)C1(C)C
InChIInChI=1S/C13H22O/c1-9(2)8-12(14)11-7-6-10(3)13(11,4)5/h6,9,14H,7-8H2,1-5H3/b12-11-
InChIKeyTUBOYXNIRDACHV-QXMHVHEDSA-N
MW194.32 g/mol
LogP4.22
Rot. Bonds2

About (1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol

(1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol (PubChem CID 89007600) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol.

Molecular Properties

Compound Name(1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol
PubChem CID89007600
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol
SMILESCC1=CC/C(=C(/O)CC(C)C)C1(C)C
InChIInChI=1S/C13H22O/c1-9(2)8-12(14)11-7-6-10(3)13(11,4)5/h6,9,14H,7-8H2,1-5H3/b12-11-
InChIKeyTUBOYXNIRDACHV-QXMHVHEDSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-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

Related Compounds

CID 86749
CID 86749
CID 6442064
CID 6442064
CID 537153
CID 537153
CID 12611406
CID 12611406
CID 57358319
CID 57358319
CID 70389744
CID 70389744
CID 129709995
CID 129709995
CID 526764
CID 526764
CID 5366010
CID 5366010
CID 10953602
CID 10953602
CID 134963921
CID 134963921
CID 71540
CID 71540

Frequently Asked Questions

What is the IUPAC name of (1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol?
The IUPAC name of (1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol (CID 89007600) is (1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol.
What is the SMILES notation for (1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol?
The canonical SMILES for (1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol is CC1=CC/C(=C(/O)CC(C)C)C1(C)C.
What is the InChIKey of (1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol?
The InChIKey is TUBOYXNIRDACHV-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H22O/c1-9(2)8-12(14)11-7-6-10(3)13(11,4)5/h6,9,14H,7-8H2,1-5H3/b12-11-.
What are the key properties of (1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol?
(1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-ylidene)butan-1-ol is sourced from PubChem (CID 89007600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).