2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan

C10H16O — CID 58081409

IUPAC2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan
SMILESCC1CC2=C(CCCCC2)O1
InChIInChI=1S/C10H16O/c1-8-7-9-5-3-2-4-6-10(9)11-8/h8H,2-7H2,1H3
InChIKeyNMYHYWRUCDBDDM-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.01
Rot. Bonds

About 2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan

2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan (PubChem CID 58081409) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan.

Molecular Properties

Compound Name2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan
PubChem CID58081409
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan
SMILESCC1CC2=C(CCCCC2)O1
InChIInChI=1S/C10H16O/c1-8-7-9-5-3-2-4-6-10(9)11-8/h8H,2-7H2,1H3
InChIKeyNMYHYWRUCDBDDM-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11073613
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CID 21482422
3-methyl-2,3,5,6,7,8-hexahydro-1,4-benzodioxine
CID 59288348
2-methyl-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 12641304
3,3a,4,5,6,7,8,9a-octahydro-2H-furo[2,3-b]chromene
CID 70208330
(1Z)-bicyclo[10.8.0]icos-1(12)-ene
CID 5377998
(3Z)-5-methyl-3-(oxolan-2-ylidene)oxolan-2-one
CID 101028557
10-oxabicyclo[7.1.0]dec-1(9)-ene
CID 141387056
2-methyl-17-methylidene-oxacycloheptadecane
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CID 11009676
(16R)-16-methyl-oxacyclohexadecan-2-one
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CID 86278289

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan?
The IUPAC name of 2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan (CID 58081409) is 2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan.
What is the SMILES notation for 2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan?
The canonical SMILES for 2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan is CC1CC2=C(CCCCC2)O1.
What is the InChIKey of 2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan?
The InChIKey is NMYHYWRUCDBDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-7-9-5-3-2-4-6-10(9)11-8/h8H,2-7H2,1H3.
What are the key properties of 2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan?
2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan has a molecular weight of 152.24 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,5,6,7,8-hexahydro-2H-cyclohepta[b]furan is sourced from PubChem (CID 58081409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).