1,3-dimethyl-5-pentan-2-ylcycloheptane

C14H28 — CID 57011378

IUPAC1,3-dimethyl-5-pentan-2-ylcycloheptane
SMILESCCCC(C)C1CCC(C)CC(C)C1
InChIInChI=1S/C14H28/c1-5-6-13(4)14-8-7-11(2)9-12(3)10-14/h11-14H,5-10H2,1-4H3
InChIKeyKNJVXLVCAATNBI-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds3

About 1,3-dimethyl-5-pentan-2-ylcycloheptane

1,3-dimethyl-5-pentan-2-ylcycloheptane (PubChem CID 57011378) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-pentan-2-ylcycloheptane.

Molecular Properties

Compound Name1,3-dimethyl-5-pentan-2-ylcycloheptane
PubChem CID57011378
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1,3-dimethyl-5-pentan-2-ylcycloheptane
SMILESCCCC(C)C1CCC(C)CC(C)C1
InChIInChI=1S/C14H28/c1-5-6-13(4)14-8-7-11(2)9-12(3)10-14/h11-14H,5-10H2,1-4H3
InChIKeyKNJVXLVCAATNBI-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-3-methylcyclopentane;ethane;methane;phosphane
CID 162271463
1,1,5-trimethyl-3-pentan-2-ylcycloheptane
CID 90776790
2-(3-methylcyclopentyl)propan-1-ol
CID 14039414
1-(5-iodopentan-2-yl)-3-pentan-2-ylcyclopentane
CID 163594435
1-methyl-3-(3-methylheptan-4-yl)cyclopentane
CID 143344172
1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
1-(3-methylcyclopentyl)butan-1-amine
CID 65414567
butane;pentan-2-ylcyclohexane
CID 143682251
1-(3,5-dimethylcycloheptyl)propan-1-amine
CID 145017744
1-(3,5-dimethylcyclohexyl)butan-1-ol
CID 64729676
N-methyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888158
1-butan-2-yloxy-4-pentan-2-ylcyclohexane
CID 123764512

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-pentan-2-ylcycloheptane?
The IUPAC name of 1,3-dimethyl-5-pentan-2-ylcycloheptane (CID 57011378) is 1,3-dimethyl-5-pentan-2-ylcycloheptane.
What is the SMILES notation for 1,3-dimethyl-5-pentan-2-ylcycloheptane?
The canonical SMILES for 1,3-dimethyl-5-pentan-2-ylcycloheptane is CCCC(C)C1CCC(C)CC(C)C1.
What is the InChIKey of 1,3-dimethyl-5-pentan-2-ylcycloheptane?
The InChIKey is KNJVXLVCAATNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-6-13(4)14-8-7-11(2)9-12(3)10-14/h11-14H,5-10H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-pentan-2-ylcycloheptane?
1,3-dimethyl-5-pentan-2-ylcycloheptane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-pentan-2-ylcycloheptane is sourced from PubChem (CID 57011378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).