1-methyl-5-pentan-3-ylcyclooctane

C14H28 — CID 161233743

IUPAC1-methyl-5-pentan-3-ylcyclooctane
SMILESCCC(CC)C1CCCC(C)CCC1
InChIInChI=1S/C14H28/c1-4-13(5-2)14-10-6-8-12(3)9-7-11-14/h12-14H,4-11H2,1-3H3
InChIKeyUZCCMBSZZXNMNU-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.03
Rot. Bonds3

About 1-methyl-5-pentan-3-ylcyclooctane

1-methyl-5-pentan-3-ylcyclooctane (PubChem CID 161233743) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-methyl-5-pentan-3-ylcyclooctane.

Molecular Properties

Compound Name1-methyl-5-pentan-3-ylcyclooctane
PubChem CID161233743
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-methyl-5-pentan-3-ylcyclooctane
SMILESCCC(CC)C1CCCC(C)CCC1
InChIInChI=1S/C14H28/c1-4-13(5-2)14-10-6-8-12(3)9-7-11-14/h12-14H,4-11H2,1-3H3
InChIKeyUZCCMBSZZXNMNU-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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

pentan-3-ylcyclopropane
CID 19042038
1-hexan-3-yl-3-methylcyclohexane
CID 143887329
formic acid;1-methyl-4-pentan-3-ylcyclohexane
CID 144502603
2-methylbutane;methylcyclobutane
CID 57473841
1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
1-[(2S)-2-[(1R,3R)-3-methylcyclohexyl]butyl]aziridine
CID 125464542
(2S)-2-cyclooctylbutan-1-ol
CID 122210665
1-cyclopropylbutan-2-ylcyclopentane
CID 142060963
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
1-(1-bromopropyl)-3-methylcyclohexane
CID 79308612
[(3S)-5-methylhexan-3-yl]cyclopentane
CID 152864730

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pentan-3-ylcyclooctane?
The IUPAC name of 1-methyl-5-pentan-3-ylcyclooctane (CID 161233743) is 1-methyl-5-pentan-3-ylcyclooctane.
What is the SMILES notation for 1-methyl-5-pentan-3-ylcyclooctane?
The canonical SMILES for 1-methyl-5-pentan-3-ylcyclooctane is CCC(CC)C1CCCC(C)CCC1.
What is the InChIKey of 1-methyl-5-pentan-3-ylcyclooctane?
The InChIKey is UZCCMBSZZXNMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-4-13(5-2)14-10-6-8-12(3)9-7-11-14/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-methyl-5-pentan-3-ylcyclooctane?
1-methyl-5-pentan-3-ylcyclooctane has a molecular weight of 196.38 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pentan-3-ylcyclooctane is sourced from PubChem (CID 161233743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).