hexane;pentylcyclopropane

C14H30 — CID 159592467

IUPAChexane;pentylcyclopropane
SMILESCCCCCC.CCCCCC1CC1
InChIInChI=1S/C8H16.C6H14/c1-2-3-4-5-8-6-7-8;1-3-5-6-4-2/h8H,2-7H2,1H3;3-6H2,1-2H3
InChIKeyMKKKNVMETKXNAB-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.56
Rot. Bonds7

About hexane;pentylcyclopropane

hexane;pentylcyclopropane (PubChem CID 159592467) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is hexane;pentylcyclopropane.

Molecular Properties

Compound Namehexane;pentylcyclopropane
PubChem CID159592467
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Namehexane;pentylcyclopropane
SMILESCCCCCC.CCCCCC1CC1
InChIInChI=1S/C8H16.C6H14/c1-2-3-4-5-8-6-7-8;1-3-5-6-4-2/h8H,2-7H2,1H3;3-6H2,1-2H3
InChIKeyMKKKNVMETKXNAB-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.56
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

1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
azane;hexylcyclopropane
CID 135322230
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-fluoro-4-heptylcyclohexane
CID 71196298
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461

Frequently Asked Questions

What is the IUPAC name of hexane;pentylcyclopropane?
The IUPAC name of hexane;pentylcyclopropane (CID 159592467) is hexane;pentylcyclopropane.
What is the SMILES notation for hexane;pentylcyclopropane?
The canonical SMILES for hexane;pentylcyclopropane is CCCCCC.CCCCCC1CC1.
What is the InChIKey of hexane;pentylcyclopropane?
The InChIKey is MKKKNVMETKXNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C6H14/c1-2-3-4-5-8-6-7-8;1-3-5-6-4-2/h8H,2-7H2,1H3;3-6H2,1-2H3.
What are the key properties of hexane;pentylcyclopropane?
hexane;pentylcyclopropane has a molecular weight of 198.39 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;pentylcyclopropane is sourced from PubChem (CID 159592467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).