1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane

C16H30 — CID 169160245

IUPAC1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane
SMILESCC=C(CC(CCC)C1CC1C)C(C)CC
InChIInChI=1S/C16H30/c1-6-9-15(16-10-13(16)5)11-14(8-3)12(4)7-2/h8,12-13,15-16H,6-7,9-11H2,1-5H3
InChIKeyLARFCEWNXXDEBV-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.44
Rot. Bonds7

About 1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane

1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane (PubChem CID 169160245) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane.

Molecular Properties

Compound Name1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane
PubChem CID169160245
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane
SMILESCC=C(CC(CCC)C1CC1C)C(C)CC
InChIInChI=1S/C16H30/c1-6-9-15(16-10-13(16)5)11-14(8-3)12(4)7-2/h8,12-13,15-16H,6-7,9-11H2,1-5H3
InChIKeyLARFCEWNXXDEBV-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.44
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

1-methyl-2-(5-methyloctan-3-yl)cyclopropane
CID 123251321
3,4-dimethyl-N-[2-(2-methylcyclopropyl)pentyl]hexan-2-amine
CID 126517551
1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
4-ethylidene-3-methyloctane
CID 90798217
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
1-(2,3-dimethylcyclobutyl)butan-1-ol
CID 130831475
cyclopropane;ethane;1-hexan-3-yl-2-methylcyclobutane;methylcyclopropane;propane
CID 143682571
1-methyl-2-(6-methyl-4-propylheptan-3-yl)cyclopropane
CID 123883056
1-(4-ethyl-5-methyloctan-2-yl)-2-methylcyclopropane
CID 123850669
1-[1-(2-methylcyclopropyl)propylamino]butan-1-ol
CID 89249335
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
1,2-di(pentan-2-yl)cyclopropane
CID 123763474

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane?
The IUPAC name of 1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane (CID 169160245) is 1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane.
What is the SMILES notation for 1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane?
The canonical SMILES for 1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane is CC=C(CC(CCC)C1CC1C)C(C)CC.
What is the InChIKey of 1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane?
The InChIKey is LARFCEWNXXDEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-6-9-15(16-10-13(16)5)11-14(8-3)12(4)7-2/h8,12-13,15-16H,6-7,9-11H2,1-5H3.
What are the key properties of 1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane?
1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane has a molecular weight of 222.42 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylidene-7-methylnonan-4-yl)-2-methylcyclopropane is sourced from PubChem (CID 169160245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).