5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan

C9H14O — CID 147760989

IUPAC5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESC=C1CC2CC(C)CC2O1
InChIInChI=1S/C9H14O/c1-6-3-8-5-7(2)10-9(8)4-6/h6,8-9H,2-5H2,1H3
InChIKeyHEBKWSWKIHYLHI-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.34
Rot. Bonds

About 5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan

5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (PubChem CID 147760989) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
PubChem CID147760989
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESC=C1CC2CC(C)CC2O1
InChIInChI=1S/C9H14O/c1-6-3-8-5-7(2)10-9(8)4-6/h6,8-9H,2-5H2,1H3
InChIKeyHEBKWSWKIHYLHI-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3aR,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 12791815
(3aS,4R,5S,6aR)-4-ethyl-5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 58644918
4,5-Dimethyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 89351340
2-Methanidylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 90997735
3-Methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 123495507
(6S)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 129267489
(3R,6R)-3,6-bis(but-3-enyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 130281101
(3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 147973275
2-Methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 12791814

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The IUPAC name of 5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (CID 147760989) is 5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.
What is the SMILES notation for 5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The canonical SMILES for 5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is C=C1CC2CC(C)CC2O1.
What is the InChIKey of 5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The InChIKey is HEBKWSWKIHYLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-6-3-8-5-7(2)10-9(8)4-6/h6,8-9H,2-5H2,1H3.
What are the key properties of 5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan has a molecular weight of 138.21 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 147760989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).