3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan

C10H16O — CID 556518

IUPAC3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan
SMILESC=C1CCC2C1COC2(C)C
InChIInChI=1S/C10H16O/c1-7-4-5-9-8(7)6-11-10(9,2)3/h8-9H,1,4-6H2,2-3H3
InChIKeyPSYUARCNIZCTFI-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds

About 3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan

3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan (PubChem CID 556518) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan
PubChem CID556518
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan
SMILESC=C1CCC2C1COC2(C)C
InChIInChI=1S/C10H16O/c1-7-4-5-9-8(7)6-11-10(9,2)3/h8-9H,1,4-6H2,2-3H3
InChIKeyPSYUARCNIZCTFI-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

rel-(+)-(3aR,6aR)-Hexahydro-1,1-dimethyl-4-methylene-1H-cyclopenta(c)furan
CID 11622364
2-[2,4-Bis(ethenyl)cyclopentyl]-2-methyloxolane
CID 68010752
3-Methyl-4-(5-methylhept-1-en-2-yl)oxolane
CID 91051023
2-Methylidene-4-(2-methyl-4-methylidenecyclopentyl)oxolane
CID 138636501
(3aS,6aR)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan
CID 139878669
6a-Prop-2-enyl-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 141083514
3-Methyl-5-methylidene-2-(2-methyl-4-methylidenecyclopentyl)oxolane
CID 166905550
3-Prop-1-en-2-yl-1-oxaspiro[4.4]nonane
CID 168932685
8,8-Dimethyl-7-prop-1-en-2-yl-1-oxaspiro[4.4]nonane
CID 170034541
(2R)-2-methyl-3-prop-1-en-2-yl-1-oxaspiro[4.4]nonane
CID 174090338
2,2-Dimethyl-3-(3-methylbut-3-enyl)oxolane
CID 71330196
(3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane
CID 71445057

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan?
The IUPAC name of 3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan (CID 556518) is 3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for 3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan?
The canonical SMILES for 3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan is C=C1CCC2C1COC2(C)C.
What is the InChIKey of 3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan?
The InChIKey is PSYUARCNIZCTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-7-4-5-9-8(7)6-11-10(9,2)3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan?
3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan has a molecular weight of 152.24 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 556518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).