2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane

C22H42 — CID 123194798

IUPAC2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane
SMILESCCCC=CC(C)CC(C)C(C)C1C(C)C1(C)CCC(C)C
InChIInChI=1S/C22H42/c1-9-10-11-12-17(4)15-18(5)19(6)21-20(7)22(21,8)14-13-16(2)3/h11-12,16-21H,9-10,13-15H2,1-8H3
InChIKeyVROJVMMLLFCOGD-UHFFFAOYSA-N
MW306.58 g/mol
LogP7.35
Rot. Bonds10

About 2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane

2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane (PubChem CID 123194798) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is 2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane.

Molecular Properties

Compound Name2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane
PubChem CID123194798
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Name2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane
SMILESCCCC=CC(C)CC(C)C(C)C1C(C)C1(C)CCC(C)C
InChIInChI=1S/C22H42/c1-9-10-11-12-17(4)15-18(5)19(6)21-20(7)22(21,8)14-13-16(2)3/h11-12,16-21H,9-10,13-15H2,1-8H3
InChIKeyVROJVMMLLFCOGD-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 57.35
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

(6R)-6-methylnon-4-ene
CID 175484589
4-methylnon-5-en-2-ol
CID 90726696
1,2-dimethyl-3-propan-2-yl-1-propylcyclopropane
CID 90948897
6,7,9-trimethyldec-4-ene
CID 123201610
1,2,3-trimethyl-1-(4-methylpentyl)cyclopropane
CID 123224943
(3S,4S)-3-methylnon-5-en-4-amine
CID 57021355
2-butyl-3-[(E)-2-methylhept-3-enyl]oxirane
CID 146188784
1,2,3-trimethyl-1-pentan-2-yl-2-pent-1-enylcyclopropane
CID 123758050
8-methyl-6-(8-methylundec-4-en-6-yloxy)undec-4-ene
CID 57150633
2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane
CID 123521762
(4E,6E)-2-methyldeca-4,6-diene
CID 102247745
(E)-2,3-dimethyloct-4-ene
CID 173368392

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane?
The IUPAC name of 2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane (CID 123194798) is 2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane.
What is the SMILES notation for 2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane?
The canonical SMILES for 2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane is CCCC=CC(C)CC(C)C(C)C1C(C)C1(C)CCC(C)C.
What is the InChIKey of 2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane?
The InChIKey is VROJVMMLLFCOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42/c1-9-10-11-12-17(4)15-18(5)19(6)21-20(7)22(21,8)14-13-16(2)3/h11-12,16-21H,9-10,13-15H2,1-8H3.
What are the key properties of 2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane?
2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane has a molecular weight of 306.58 g/mol, XLogP of 7.35, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyldec-6-en-2-yl)-1,3-dimethyl-1-(3-methylbutyl)cyclopropane is sourced from PubChem (CID 123194798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).