2,3-diethylthiophene;pentylcycloheptane

C20H36S — CID 174909997

IUPAC2,3-diethylthiophene;pentylcycloheptane
SMILESCCCCCC1CCCCCC1.CCc1ccsc1CC
InChIInChI=1S/C12H24.C8H12S/c1-2-3-6-9-12-10-7-4-5-8-11-12;1-3-7-5-6-9-8(7)4-2/h12H,2-11H2,1H3;5-6H,3-4H2,1-2H3
InChIKeyNUVYIFCGOZJKIV-UHFFFAOYSA-N
MW308.57 g/mol
LogP7.41
Rot. Bonds6

About 2,3-diethylthiophene;pentylcycloheptane

2,3-diethylthiophene;pentylcycloheptane (PubChem CID 174909997) has the molecular formula C20H36S and a molecular weight of 308.57 g/mol. Its IUPAC name is 2,3-diethylthiophene;pentylcycloheptane.

Molecular Properties

Compound Name2,3-diethylthiophene;pentylcycloheptane
PubChem CID174909997
Molecular FormulaC20H36S
Molecular Weight308.57 g/mol
Exact Mass308.25
IUPAC Name2,3-diethylthiophene;pentylcycloheptane
SMILESCCCCCC1CCCCCC1.CCc1ccsc1CC
InChIInChI=1S/C12H24.C8H12S/c1-2-3-6-9-12-10-7-4-5-8-11-12;1-3-7-5-6-9-8(7)4-2/h12H,2-11H2,1H3;5-6H,3-4H2,1-2H3
InChIKeyNUVYIFCGOZJKIV-UHFFFAOYSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.57
LogP ≤ 57.41
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

2-bromothiophene;pentylcycloheptane
CID 175320420
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
hexylcyclohexane;thiophene
CID 174910643
azane;heptylcyclohexane
CID 121434222
ethene;pentylcyclopentane
CID 145442606
2-aminothiophene-3-carboxylic acid;butylcyclohexane
CID 22053855
heptylcyclohexane;propan-2-one
CID 143570854
carbonyl dichloride;pentylcyclohexane
CID 19977556
6-decylcyclododecan-1-one
CID 21490531

Frequently Asked Questions

What is the IUPAC name of 2,3-diethylthiophene;pentylcycloheptane?
The IUPAC name of 2,3-diethylthiophene;pentylcycloheptane (CID 174909997) is 2,3-diethylthiophene;pentylcycloheptane.
What is the SMILES notation for 2,3-diethylthiophene;pentylcycloheptane?
The canonical SMILES for 2,3-diethylthiophene;pentylcycloheptane is CCCCCC1CCCCCC1.CCc1ccsc1CC.
What is the InChIKey of 2,3-diethylthiophene;pentylcycloheptane?
The InChIKey is NUVYIFCGOZJKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C8H12S/c1-2-3-6-9-12-10-7-4-5-8-11-12;1-3-7-5-6-9-8(7)4-2/h12H,2-11H2,1H3;5-6H,3-4H2,1-2H3.
What are the key properties of 2,3-diethylthiophene;pentylcycloheptane?
2,3-diethylthiophene;pentylcycloheptane has a molecular weight of 308.57 g/mol, XLogP of 7.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethylthiophene;pentylcycloheptane is sourced from PubChem (CID 174909997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).