2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane

C19H36 — CID 123521762

IUPAC2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane
SMILESC=CC(C)C(C(C)C)C1C(C)C1(C)CCC(C)CC
InChIInChI=1S/C19H36/c1-9-14(5)11-12-19(8)16(7)18(19)17(13(3)4)15(6)10-2/h10,13-18H,2,9,11-12H2,1,3-8H3
InChIKeyFSKCMLDSZDPBRS-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.18
Rot. Bonds8

About 2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane

2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane (PubChem CID 123521762) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane.

Molecular Properties

Compound Name2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane
PubChem CID123521762
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane
SMILESC=CC(C)C(C(C)C)C1C(C)C1(C)CCC(C)CC
InChIInChI=1S/C19H36/c1-9-14(5)11-12-19(8)16(7)18(19)17(13(3)4)15(6)10-2/h10,13-18H,2,9,11-12H2,1,3-8H3
InChIKeyFSKCMLDSZDPBRS-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-2,3,7-trimethylnonane
CID 91411047
4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane
CID 123925488
1,2-dimethyl-3-propan-2-yl-1-propylcyclopropane
CID 90948897
2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane
CID 123868071
3-ethyl-1-(3-methylhept-1-en-4-yl)-1-(4-methylhexyl)cyclobutane
CID 123978721
4-ethyl-3,5-dimethylhex-1-ene
CID 19044876
1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane
CID 90804985
butane;ethane;5-methylhept-1-ene
CID 143370195
3,6,7,10-tetramethyldodec-1-ene
CID 143243689
N,3-dimethylpentan-1-amine;prop-1-ene
CID 171815498
2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane
CID 123435372
2,3,4-trimethyl-N-(2-methylbutyl)hex-5-en-1-amine
CID 154966914

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane?
The IUPAC name of 2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane (CID 123521762) is 2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane.
What is the SMILES notation for 2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane?
The canonical SMILES for 2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane is C=CC(C)C(C(C)C)C1C(C)C1(C)CCC(C)CC.
What is the InChIKey of 2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane?
The InChIKey is FSKCMLDSZDPBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-9-14(5)11-12-19(8)16(7)18(19)17(13(3)4)15(6)10-2/h10,13-18H,2,9,11-12H2,1,3-8H3.
What are the key properties of 2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane?
2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane has a molecular weight of 264.50 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane is sourced from PubChem (CID 123521762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).