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

C10H16O — CID 101390732

IUPAC(3aS,6aS)-3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan
SMILESC=C1CC[C@H]2[C@@H]1COC2(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/t8-,9+/m1/s1
InChIKeyPSYUARCNIZCTFI-BDAKNGLRSA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds

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

(3aS,6aS)-3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan (PubChem CID 101390732) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3aS,6aS)-3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name(3aS,6aS)-3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan
PubChem CID101390732
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3aS,6aS)-3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan
SMILESC=C1CC[C@H]2[C@@H]1COC2(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/t8-,9+/m1/s1
InChIKeyPSYUARCNIZCTFI-BDAKNGLRSA-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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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan?
The IUPAC name of (3aS,6aS)-3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan (CID 101390732) is (3aS,6aS)-3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for (3aS,6aS)-3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan?
The canonical SMILES for (3aS,6aS)-3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan is C=C1CC[C@H]2[C@@H]1COC2(C)C.
What is the InChIKey of (3aS,6aS)-3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan?
The InChIKey is PSYUARCNIZCTFI-BDAKNGLRSA-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/t8-,9+/m1/s1.
What are the key properties of (3aS,6aS)-3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan?
(3aS,6aS)-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 (3aS,6aS)-3,3-dimethyl-6-methylidene-3a,4,5,6a-tetrahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 101390732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).