1,3-dipentylcyclohexane

C16H32 — CID 54105663

IUPAC1,3-dipentylcyclohexane
SMILESCCCCCC1CCCC(CCCCC)C1
InChIInChI=1S/C16H32/c1-3-5-7-10-15-12-9-13-16(14-15)11-8-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyICLFUBGPZREECE-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.95
Rot. Bonds8

About 1,3-dipentylcyclohexane

1,3-dipentylcyclohexane (PubChem CID 54105663) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1,3-dipentylcyclohexane.

Molecular Properties

Compound Name1,3-dipentylcyclohexane
PubChem CID54105663
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1,3-dipentylcyclohexane
SMILESCCCCCC1CCCC(CCCCC)C1
InChIInChI=1S/C16H32/c1-3-5-7-10-15-12-9-13-16(14-15)11-8-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyICLFUBGPZREECE-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-diheptylcyclohexane
CID 19973333
1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
3-heptylcyclohexan-1-ol
CID 64515801
1,3-dipentylcyclohexane;methane;1-methyl-3-nonylcyclohexane;molecular hydrogen
CID 158750937
cis-(1S,3R)-1-ethoxy-3-pentylcyclohexane
CID 101096763
tetradecylcyclododecane
CID 169026037
ethene;pentylcyclopentane
CID 145442606
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
1-methyl-4-pentylcycloheptane
CID 123318058

Frequently Asked Questions

What is the IUPAC name of 1,3-dipentylcyclohexane?
The IUPAC name of 1,3-dipentylcyclohexane (CID 54105663) is 1,3-dipentylcyclohexane.
What is the SMILES notation for 1,3-dipentylcyclohexane?
The canonical SMILES for 1,3-dipentylcyclohexane is CCCCCC1CCCC(CCCCC)C1.
What is the InChIKey of 1,3-dipentylcyclohexane?
The InChIKey is ICLFUBGPZREECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-3-5-7-10-15-12-9-13-16(14-15)11-8-6-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 1,3-dipentylcyclohexane?
1,3-dipentylcyclohexane has a molecular weight of 224.43 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipentylcyclohexane is sourced from PubChem (CID 54105663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).