(2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane

C15H28 — CID 123738609

IUPAC(2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane
SMILESCCC(C)C=CC(C)(CC1CC1)C(C)C
InChIInChI=1S/C15H28/c1-6-13(4)9-10-15(5,12(2)3)11-14-7-8-14/h9-10,12-14H,6-8,11H2,1-5H3
InChIKeyARSVPMCCGXNQRV-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.05
Rot. Bonds6

About (2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane

(2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane (PubChem CID 123738609) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is (2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane.

Molecular Properties

Compound Name(2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane
PubChem CID123738609
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name(2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane
SMILESCCC(C)C=CC(C)(CC1CC1)C(C)C
InChIInChI=1S/C15H28/c1-6-13(4)9-10-15(5,12(2)3)11-14-7-8-14/h9-10,12-14H,6-8,11H2,1-5H3
InChIKeyARSVPMCCGXNQRV-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane 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

3,6,6-trimethylnon-4-ene
CID 123647444
3,6-dimethyloct-4-ene
CID 73165576
(4E)-3,6-dimethylocta-1,4-dien-3-ol
CID 20526736
2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane)
CID 144526650
1-(3-methylpent-1-enyl)-2-propylcyclopropane
CID 123732015
methylcyclobutane;(Z)-4-methylhex-2-ene
CID 142208255
(2-ethyl-2,3-dimethylbutyl)cyclobutane
CID 123708911
2,2,6-trimethyloct-4-ene
CID 91281227
(E,3R)-2,3,6-trimethyloct-4-en-2-ol
CID 90299782
2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641015
2-(cyclopropylmethyl)-2-methylhexanal
CID 141352242
1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane
CID 118486049

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane?
The IUPAC name of (2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane (CID 123738609) is (2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane.
What is the SMILES notation for (2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane?
The canonical SMILES for (2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane is CCC(C)C=CC(C)(CC1CC1)C(C)C.
What is the InChIKey of (2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane?
The InChIKey is ARSVPMCCGXNQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-6-13(4)9-10-15(5,12(2)3)11-14-7-8-14/h9-10,12-14H,6-8,11H2,1-5H3.
What are the key properties of (2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane?
(2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane has a molecular weight of 208.39 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane is sourced from PubChem (CID 123738609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).