1-cyclopropylpentylcycloheptane

C15H28 — CID 91177068

IUPAC1-cyclopropylpentylcycloheptane
SMILESCCCCC(C1CCCCCC1)C1CC1
InChIInChI=1S/C15H28/c1-2-3-10-15(14-11-12-14)13-8-6-4-5-7-9-13/h13-15H,2-12H2,1H3
InChIKeyKOHBOXPGHCQLTL-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.17
Rot. Bonds5

About 1-cyclopropylpentylcycloheptane

1-cyclopropylpentylcycloheptane (PubChem CID 91177068) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-cyclopropylpentylcycloheptane.

Molecular Properties

Compound Name1-cyclopropylpentylcycloheptane
PubChem CID91177068
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-cyclopropylpentylcycloheptane
SMILESCCCCC(C1CCCCCC1)C1CC1
InChIInChI=1S/C15H28/c1-2-3-10-15(14-11-12-14)13-8-6-4-5-7-9-13/h13-15H,2-12H2,1H3
InChIKeyKOHBOXPGHCQLTL-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
(5-butoxy-1-cyclooctylpentyl)cyclooctane
CID 57036242
1-cyclopropyloctylcyclopropane
CID 141276542
1-cyclohexyldecylcyclohexane;isocyanic acid
CID 172810256
undecan-5-ylcyclohexane
CID 524419
2-(1-cyclopropylpentyl)oxetane
CID 174056372
(1R)-1-cyclopentylpentan-1-amine
CID 55292231
4-[1-(4-hydroxycyclohexyl)decyl]cyclohexan-1-ol
CID 150695272
4-[1-(4-aminocyclohexyl)decyl]cyclohexan-1-amine
CID 150327650
(1-cyclohexyl-4-methylpentyl)cyclohexane
CID 21259623
6,6-di(cyclododecyl)hexan-1-amine
CID 139722642

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpentylcycloheptane?
The IUPAC name of 1-cyclopropylpentylcycloheptane (CID 91177068) is 1-cyclopropylpentylcycloheptane.
What is the SMILES notation for 1-cyclopropylpentylcycloheptane?
The canonical SMILES for 1-cyclopropylpentylcycloheptane is CCCCC(C1CCCCCC1)C1CC1.
What is the InChIKey of 1-cyclopropylpentylcycloheptane?
The InChIKey is KOHBOXPGHCQLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-2-3-10-15(14-11-12-14)13-8-6-4-5-7-9-13/h13-15H,2-12H2,1H3.
What are the key properties of 1-cyclopropylpentylcycloheptane?
1-cyclopropylpentylcycloheptane has a molecular weight of 208.39 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpentylcycloheptane is sourced from PubChem (CID 91177068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).