1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane

C18H36 — CID 123760958

IUPAC1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane
SMILESCCCCC(C)C(CC(C)(C)C)C1CC1(C)CC
InChIInChI=1S/C18H36/c1-8-10-11-14(3)15(12-17(4,5)6)16-13-18(16,7)9-2/h14-16H,8-13H2,1-7H3
InChIKeyPVPRNRNOSLKKLQ-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.30
Rot. Bonds7

About 1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane

1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane (PubChem CID 123760958) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane
PubChem CID123760958
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane
SMILESCCCCC(C)C(CC(C)(C)C)C1CC1(C)CC
InChIInChI=1S/C18H36/c1-8-10-11-14(3)15(12-17(4,5)6)16-13-18(16,7)9-2/h14-16H,8-13H2,1-7H3
InChIKeyPVPRNRNOSLKKLQ-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-(5-methylundecan-4-yl)-1-nonylcyclopropane
CID 123620432
2,2,4,5-tetramethylnonane
CID 57490937
1-ethyl-1-methyl-2-propan-2-ylcyclopropane
CID 91445155
2,2,6,7-tetramethylundecane
CID 123602815
hexane;2,2,4-trimethyloctane
CID 174278610
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
1,1-dimethyl-2-(2-methylnonan-3-yl)cyclopropane
CID 123682782
(1R)-1-[(1R,2R)-2-butyl-2-methylcyclopropyl]-2-methylpropan-1-ol
CID 102319002
2,2,4-trimethylundecane
CID 57127021
2,2,4-trimethyltetradecane
CID 19913540
1-ethyl-1-heptan-3-yl-2-(3,3,4-trimethylpentan-2-yl)cyclopropane
CID 123906040
4-ethyl-2,2-dimethyloctane;2,2,4-trimethylhexane
CID 159606053

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane?
The IUPAC name of 1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane (CID 123760958) is 1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane.
What is the SMILES notation for 1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane?
The canonical SMILES for 1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane is CCCCC(C)C(CC(C)(C)C)C1CC1(C)CC.
What is the InChIKey of 1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane?
The InChIKey is PVPRNRNOSLKKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-8-10-11-14(3)15(12-17(4,5)6)16-13-18(16,7)9-2/h14-16H,8-13H2,1-7H3.
What are the key properties of 1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane?
1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane has a molecular weight of 252.49 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-2-(2,2,5-trimethylnonan-4-yl)cyclopropane is sourced from PubChem (CID 123760958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).