3,5-dimethylnonan-2-ylcycloheptane

C18H36 — CID 123664073

IUPAC3,5-dimethylnonan-2-ylcycloheptane
SMILESCCCCC(C)CC(C)C(C)C1CCCCCC1
InChIInChI=1S/C18H36/c1-5-6-11-15(2)14-16(3)17(4)18-12-9-7-8-10-13-18/h15-18H,5-14H2,1-4H3
InChIKeyMOSFLBYRZOVGEV-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.45
Rot. Bonds7

About 3,5-dimethylnonan-2-ylcycloheptane

3,5-dimethylnonan-2-ylcycloheptane (PubChem CID 123664073) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 3,5-dimethylnonan-2-ylcycloheptane.

Molecular Properties

Compound Name3,5-dimethylnonan-2-ylcycloheptane
PubChem CID123664073
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name3,5-dimethylnonan-2-ylcycloheptane
SMILESCCCCC(C)CC(C)C(C)C1CCCCCC1
InChIInChI=1S/C18H36/c1-5-6-11-15(2)14-16(3)17(4)18-12-9-7-8-10-13-18/h15-18H,5-14H2,1-4H3
InChIKeyMOSFLBYRZOVGEV-UHFFFAOYSA-N
XLogP6.45
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 ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
(4-methyl-3-propyloctan-2-yl)cyclobutane
CID 20695675
1-cyclopropylpentylcycloheptane
CID 91177068
2,4,5,7-tetramethylundecane
CID 91373064
[(3R)-3-methylpentan-2-yl]cyclopentane
CID 144516432
6-cyclohexyl-4-methylheptan-1-ol
CID 142413508
(5-cyclobutyl-4-methylhexan-2-yl)cyclopentane
CID 123949424
undecan-5-ylcyclohexane
CID 524419
1-cyclohexyl-2-methyl-N-propylhexan-1-amine
CID 114246260
3,4,5,7-tetramethylundecane
CID 123179058
(1R)-1-cyclopentylpentan-1-amine
CID 55292231
N-[(1S)-1-cyclohexylethyl]heptan-3-amine
CID 81387279

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylnonan-2-ylcycloheptane?
The IUPAC name of 3,5-dimethylnonan-2-ylcycloheptane (CID 123664073) is 3,5-dimethylnonan-2-ylcycloheptane.
What is the SMILES notation for 3,5-dimethylnonan-2-ylcycloheptane?
The canonical SMILES for 3,5-dimethylnonan-2-ylcycloheptane is CCCCC(C)CC(C)C(C)C1CCCCCC1.
What is the InChIKey of 3,5-dimethylnonan-2-ylcycloheptane?
The InChIKey is MOSFLBYRZOVGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-5-6-11-15(2)14-16(3)17(4)18-12-9-7-8-10-13-18/h15-18H,5-14H2,1-4H3.
What are the key properties of 3,5-dimethylnonan-2-ylcycloheptane?
3,5-dimethylnonan-2-ylcycloheptane has a molecular weight of 252.49 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylnonan-2-ylcycloheptane is sourced from PubChem (CID 123664073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).