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

C9H14O — CID 123495507

IUPAC3-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESC=C1OC2CCCC2C1C
InChIInChI=1S/C9H14O/c1-6-7(2)10-9-5-3-4-8(6)9/h6,8-9H,2-5H2,1H3
InChIKeyKOFYIUPRPFDENG-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.34
Rot. Bonds

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

3-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (PubChem CID 123495507) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name3-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
PubChem CID123495507
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name3-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESC=C1OC2CCCC2C1C
InChIInChI=1S/C9H14O/c1-6-7(2)10-9-5-3-4-8(6)9/h6,8-9H,2-5H2,1H3
InChIKeyKOFYIUPRPFDENG-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
(2Z,3aR,6aR)-2-pentylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 12791822
(2E,3aR,6aR)-2-(bromomethylidene)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 134981021
(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
(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
5-Methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 147760989
(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 3-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The IUPAC name of 3-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (CID 123495507) is 3-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.
What is the SMILES notation for 3-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The canonical SMILES for 3-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is C=C1OC2CCCC2C1C.
What is the InChIKey of 3-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The InChIKey is KOFYIUPRPFDENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-6-7(2)10-9-5-3-4-8(6)9/h6,8-9H,2-5H2,1H3.
What are the key properties of 3-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
3-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 3-methyl-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 123495507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).