2,3,5-trimethyl-1-propylcycloheptane

C13H26 — CID 123381227

IUPAC2,3,5-trimethyl-1-propylcycloheptane
SMILESCCCC1CCC(C)CC(C)C1C
InChIInChI=1S/C13H26/c1-5-6-13-8-7-10(2)9-11(3)12(13)4/h10-13H,5-9H2,1-4H3
InChIKeyJQJJYVIUYQZWTP-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.49
Rot. Bonds2

About 2,3,5-trimethyl-1-propylcycloheptane

2,3,5-trimethyl-1-propylcycloheptane (PubChem CID 123381227) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2,3,5-trimethyl-1-propylcycloheptane.

Molecular Properties

Compound Name2,3,5-trimethyl-1-propylcycloheptane
PubChem CID123381227
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2,3,5-trimethyl-1-propylcycloheptane
SMILESCCCC1CCC(C)CC(C)C1C
InChIInChI=1S/C13H26/c1-5-6-13-8-7-10(2)9-11(3)12(13)4/h10-13H,5-9H2,1-4H3
InChIKeyJQJJYVIUYQZWTP-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-1,3-dipropylcyclopentane
CID 90887551
(4-methyl-2-propylcyclohexyl)methanamine
CID 81009866
(1S,2R,5S)-5-methyl-2-propylcyclohexan-1-ol
CID 11899231
1,4-dimethyl-2-propylcyclopentane;ethane
CID 155717345
ethene;1,2,3-trimethyl-4-propylcyclopentane
CID 162276276
bis(5-methyl-2-propylcyclohexyl)methanone
CID 150034855
ethane;1-methyl-2-propylcyclopropane
CID 144710386
1-(2,2-dimethylpentyl)-4-methyl-2-propylcyclohexane
CID 91145673
(1R)-1-methyl-2,3-dipropylcyclopentane
CID 168721749
1,3-diethyl-2,5-dimethylcycloheptane
CID 123338571
acetylene;1-methyl-2-propylcyclopropane;propane
CID 173373842
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-1-propylcycloheptane?
The IUPAC name of 2,3,5-trimethyl-1-propylcycloheptane (CID 123381227) is 2,3,5-trimethyl-1-propylcycloheptane.
What is the SMILES notation for 2,3,5-trimethyl-1-propylcycloheptane?
The canonical SMILES for 2,3,5-trimethyl-1-propylcycloheptane is CCCC1CCC(C)CC(C)C1C.
What is the InChIKey of 2,3,5-trimethyl-1-propylcycloheptane?
The InChIKey is JQJJYVIUYQZWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-5-6-13-8-7-10(2)9-11(3)12(13)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 2,3,5-trimethyl-1-propylcycloheptane?
2,3,5-trimethyl-1-propylcycloheptane has a molecular weight of 182.35 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1-propylcycloheptane is sourced from PubChem (CID 123381227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).