(5-ethyl-4-methylheptylidene)cyclopropane

C13H24 — CID 123365947

IUPAC(5-ethyl-4-methylheptylidene)cyclopropane
SMILESCCC(CC)C(C)CCC=C1CC1
InChIInChI=1S/C13H24/c1-4-13(5-2)11(3)7-6-8-12-9-10-12/h8,11,13H,4-7,9-10H2,1-3H3
InChIKeyYXQZPNWVRFGAGR-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.56
Rot. Bonds6

About (5-ethyl-4-methylheptylidene)cyclopropane

(5-ethyl-4-methylheptylidene)cyclopropane (PubChem CID 123365947) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is (5-ethyl-4-methylheptylidene)cyclopropane.

Molecular Properties

Compound Name(5-ethyl-4-methylheptylidene)cyclopropane
PubChem CID123365947
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name(5-ethyl-4-methylheptylidene)cyclopropane
SMILESCCC(CC)C(C)CCC=C1CC1
InChIInChI=1S/C13H24/c1-4-13(5-2)11(3)7-6-8-12-9-10-12/h8,11,13H,4-7,9-10H2,1-3H3
InChIKeyYXQZPNWVRFGAGR-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.56
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

(4R)-3-ethyl-4-methylhexane
CID 59954491
heptadecylidenecyclopropane
CID 19760704
5-ethyl-6-methyloct-1-ene
CID 123326070
3-ethyl-4-methylhexan-1-amine
CID 123538643
3-ethyl-4,8-dimethyldecane
CID 57491716
8-ethyl-9-methyldodeca-4,5-diene
CID 123744069
(E)-7,8-dimethyldec-3-ene
CID 164805816
N-(10-ethyl-4,9-dimethyldodec-5-en-2-yl)ethanimine
CID 123523690
4,5-diethyloctane
CID 519254
(2-ethyl-3-methylpentyl)-trimethylazanium
CID 88887773
3,5-diethyl-4,6,7-trimethylnonane
CID 123912873
6-cyclohexylidenehex-1-yn-3-yl acetate
CID 154275737

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methylheptylidene)cyclopropane?
The IUPAC name of (5-ethyl-4-methylheptylidene)cyclopropane (CID 123365947) is (5-ethyl-4-methylheptylidene)cyclopropane.
What is the SMILES notation for (5-ethyl-4-methylheptylidene)cyclopropane?
The canonical SMILES for (5-ethyl-4-methylheptylidene)cyclopropane is CCC(CC)C(C)CCC=C1CC1.
What is the InChIKey of (5-ethyl-4-methylheptylidene)cyclopropane?
The InChIKey is YXQZPNWVRFGAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-13(5-2)11(3)7-6-8-12-9-10-12/h8,11,13H,4-7,9-10H2,1-3H3.
What are the key properties of (5-ethyl-4-methylheptylidene)cyclopropane?
(5-ethyl-4-methylheptylidene)cyclopropane has a molecular weight of 180.34 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methylheptylidene)cyclopropane is sourced from PubChem (CID 123365947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).