1-ethyl-4-(3-methylbutyl)cycloheptane

C14H28 — CID 123171853

IUPAC1-ethyl-4-(3-methylbutyl)cycloheptane
SMILESCCC1CCCC(CCC(C)C)CC1
InChIInChI=1S/C14H28/c1-4-13-6-5-7-14(11-10-13)9-8-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyPJYAVOOFGIZFKR-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.03
Rot. Bonds4

About 1-ethyl-4-(3-methylbutyl)cycloheptane

1-ethyl-4-(3-methylbutyl)cycloheptane (PubChem CID 123171853) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-ethyl-4-(3-methylbutyl)cycloheptane.

Molecular Properties

Compound Name1-ethyl-4-(3-methylbutyl)cycloheptane
PubChem CID123171853
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-ethyl-4-(3-methylbutyl)cycloheptane
SMILESCCC1CCCC(CCC(C)C)CC1
InChIInChI=1S/C14H28/c1-4-13-6-5-7-14(11-10-13)9-8-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyPJYAVOOFGIZFKR-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methylbutylcyclobutane;3-methylbutylcycloheptane;3-methylbutylcyclohexane;3-methylbutylcyclopentane;3-methylbutylcyclopropane;2-methylpropylcyclobutane;2-methylpropylcycloheptane;2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159602512
4-(4-ethylcyclohexyl)butan-2-ol
CID 64774700
cyclopropane;ethylcyclobutane;propane
CID 142456817
ethylcyclobutane;methanamine
CID 175532329
ethane;1-ethyl-4-propylcyclohexane;2-methylpropane
CID 166536374
4-methylpentylcyclopentane
CID 523530
1-methoxy-4-(3-methylbutyl)cyclohexane
CID 167069345
1-(3-chlorobutyl)-3-ethylcyclohexane
CID 64514451
4-(3-ethylcyclohexyl)butan-2-ol
CID 64515545
4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane
CID 143714576
ethane;ethene;ethylcyclobutane
CID 164586585
2-ethyl-5-(3-methylbutyl)cyclohexan-1-ol
CID 145005052

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methylbutyl)cycloheptane?
The IUPAC name of 1-ethyl-4-(3-methylbutyl)cycloheptane (CID 123171853) is 1-ethyl-4-(3-methylbutyl)cycloheptane.
What is the SMILES notation for 1-ethyl-4-(3-methylbutyl)cycloheptane?
The canonical SMILES for 1-ethyl-4-(3-methylbutyl)cycloheptane is CCC1CCCC(CCC(C)C)CC1.
What is the InChIKey of 1-ethyl-4-(3-methylbutyl)cycloheptane?
The InChIKey is PJYAVOOFGIZFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-4-13-6-5-7-14(11-10-13)9-8-12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-ethyl-4-(3-methylbutyl)cycloheptane?
1-ethyl-4-(3-methylbutyl)cycloheptane has a molecular weight of 196.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methylbutyl)cycloheptane is sourced from PubChem (CID 123171853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).