7-pentylcyclopenta[c]pyran

C13H16O — CID 91151505

IUPAC7-pentylcyclopenta[c]pyran
SMILESCCCCCc1ccc2ccocc1-2
InChIInChI=1S/C13H16O/c1-2-3-4-5-11-6-7-12-8-9-14-10-13(11)12/h6-10H,2-5H2,1H3
InChIKeyKIIBQWQLSMHHHO-UHFFFAOYSA-N
MW188.27 g/mol
LogP4.12
Rot. Bonds4

About 7-pentylcyclopenta[c]pyran

7-pentylcyclopenta[c]pyran (PubChem CID 91151505) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 7-pentylcyclopenta[c]pyran.

Molecular Properties

Compound Name7-pentylcyclopenta[c]pyran
PubChem CID91151505
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name7-pentylcyclopenta[c]pyran
SMILESCCCCCc1ccc2ccocc1-2
InChIInChI=1S/C13H16O/c1-2-3-4-5-11-6-7-12-8-9-14-10-13(11)12/h6-10H,2-5H2,1H3
InChIKeyKIIBQWQLSMHHHO-UHFFFAOYSA-N
XLogP4.12
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 54.12
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

3-(4-chlorophenyl)-4-hexylfuran
CID 91587269
3-undecylfuran
CID 13123134
3-octylfuran
CID 12700162
gold;1-pentyl-2-phenylbenzene
CID 174945702
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
6-butylcyclopenta[c]pyran-5-amine;hydrochloride
CID 69426672
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene
CID 146536354
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
7-butylcyclopenta[c]thiopyran
CID 173058565
4-(2-pentylphenyl)benzonitrile
CID 69050973
2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 22960039

Frequently Asked Questions

What is the IUPAC name of 7-pentylcyclopenta[c]pyran?
The IUPAC name of 7-pentylcyclopenta[c]pyran (CID 91151505) is 7-pentylcyclopenta[c]pyran.
What is the SMILES notation for 7-pentylcyclopenta[c]pyran?
The canonical SMILES for 7-pentylcyclopenta[c]pyran is CCCCCc1ccc2ccocc1-2.
What is the InChIKey of 7-pentylcyclopenta[c]pyran?
The InChIKey is KIIBQWQLSMHHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-2-3-4-5-11-6-7-12-8-9-14-10-13(11)12/h6-10H,2-5H2,1H3.
What are the key properties of 7-pentylcyclopenta[c]pyran?
7-pentylcyclopenta[c]pyran has a molecular weight of 188.27 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentylcyclopenta[c]pyran is sourced from PubChem (CID 91151505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).