1,4-dipropylcyclohexane;pentane

C17H36 — CID 90867354

IUPAC1,4-dipropylcyclohexane;pentane
SMILESCCCC1CCC(CCC)CC1.CCCCC
InChIInChI=1S/C12H24.C5H12/c1-3-5-11-7-9-12(6-4-2)10-8-11;1-3-5-4-2/h11-12H,3-10H2,1-2H3;3-5H2,1-2H3
InChIKeyWZPBGVAYJYDTDS-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.59
Rot. Bonds6

About 1,4-dipropylcyclohexane;pentane

1,4-dipropylcyclohexane;pentane (PubChem CID 90867354) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is 1,4-dipropylcyclohexane;pentane.

Molecular Properties

Compound Name1,4-dipropylcyclohexane;pentane
PubChem CID90867354
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name1,4-dipropylcyclohexane;pentane
SMILESCCCC1CCC(CCC)CC1.CCCCC
InChIInChI=1S/C12H24.C5H12/c1-3-5-11-7-9-12(6-4-2)10-8-11;1-3-5-4-2/h11-12H,3-10H2,1-2H3;3-5H2,1-2H3
InChIKeyWZPBGVAYJYDTDS-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;propane;propylcyclopropane
CID 145406182
1-butyl-4-propylcyclononane
CID 123467552
hexane;pentylcyclopropane
CID 159592467
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
azane;hexylcyclopropane
CID 135322230
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane
CID 173321261

Frequently Asked Questions

What is the IUPAC name of 1,4-dipropylcyclohexane;pentane?
The IUPAC name of 1,4-dipropylcyclohexane;pentane (CID 90867354) is 1,4-dipropylcyclohexane;pentane.
What is the SMILES notation for 1,4-dipropylcyclohexane;pentane?
The canonical SMILES for 1,4-dipropylcyclohexane;pentane is CCCC1CCC(CCC)CC1.CCCCC.
What is the InChIKey of 1,4-dipropylcyclohexane;pentane?
The InChIKey is WZPBGVAYJYDTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C5H12/c1-3-5-11-7-9-12(6-4-2)10-8-11;1-3-5-4-2/h11-12H,3-10H2,1-2H3;3-5H2,1-2H3.
What are the key properties of 1,4-dipropylcyclohexane;pentane?
1,4-dipropylcyclohexane;pentane has a molecular weight of 240.47 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipropylcyclohexane;pentane is sourced from PubChem (CID 90867354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).