hexylcyclohexane;thiophene

C16H28S — CID 174910643

IUPAChexylcyclohexane;thiophene
SMILESCCCCCCC1CCCCC1.c1ccsc1
InChIInChI=1S/C12H24.C4H4S/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-2-4-5-3-1/h12H,2-11H2,1H3;1-4H
InChIKeyIAWIXZIDQQFDSI-UHFFFAOYSA-N
MW252.47 g/mol
LogP6.29
Rot. Bonds5

About hexylcyclohexane;thiophene

hexylcyclohexane;thiophene (PubChem CID 174910643) has the molecular formula C16H28S and a molecular weight of 252.47 g/mol. Its IUPAC name is hexylcyclohexane;thiophene.

Molecular Properties

Compound Namehexylcyclohexane;thiophene
PubChem CID174910643
Molecular FormulaC16H28S
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Namehexylcyclohexane;thiophene
SMILESCCCCCCC1CCCCC1.c1ccsc1
InChIInChI=1S/C12H24.C4H4S/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-2-4-5-3-1/h12H,2-11H2,1H3;1-4H
InChIKeyIAWIXZIDQQFDSI-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
azane;heptylcyclohexane
CID 121434222
carbanide;dichlorozirconium(2+);bis(heptylcyclopentane)
CID 162290746
ethene;pentylcyclopentane
CID 145442606
heptylcyclohexane;propan-2-one
CID 143570854
2-bromothiophene;pentylcycloheptane
CID 175320420
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1,4-dihexylcyclohexane
CID 22947938

Frequently Asked Questions

What is the IUPAC name of hexylcyclohexane;thiophene?
The IUPAC name of hexylcyclohexane;thiophene (CID 174910643) is hexylcyclohexane;thiophene.
What is the SMILES notation for hexylcyclohexane;thiophene?
The canonical SMILES for hexylcyclohexane;thiophene is CCCCCCC1CCCCC1.c1ccsc1.
What is the InChIKey of hexylcyclohexane;thiophene?
The InChIKey is IAWIXZIDQQFDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C4H4S/c1-2-3-4-6-9-12-10-7-5-8-11-12;1-2-4-5-3-1/h12H,2-11H2,1H3;1-4H.
What are the key properties of hexylcyclohexane;thiophene?
hexylcyclohexane;thiophene has a molecular weight of 252.47 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexylcyclohexane;thiophene is sourced from PubChem (CID 174910643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).