(8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan

C15H18O — CID 10353201

IUPAC(8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan
SMILESC=C1CCC2=C(C)Cc3occ(C)c3C[C@@H]12
InChIInChI=1S/C15H18O/c1-9-4-5-12-10(2)6-15-14(7-13(9)12)11(3)8-16-15/h8,13H,1,4-7H2,2-3H3/t13-/m0/s1
InChIKeySWKHLQBXHZYJOP-ZDUSSCGKSA-N
MW214.31 g/mol
LogP3.97
Rot. Bonds

About (8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan

(8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan (PubChem CID 10353201) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan.

Molecular Properties

Compound Name(8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan
PubChem CID10353201
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan
SMILESC=C1CCC2=C(C)Cc3occ(C)c3C[C@@H]12
InChIInChI=1S/C15H18O/c1-9-4-5-12-10(2)6-15-14(7-13(9)12)11(3)8-16-15/h8,13H,1,4-7H2,2-3H3/t13-/m0/s1
InChIKeySWKHLQBXHZYJOP-ZDUSSCGKSA-N
XLogP3.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.97
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 (8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan?
The IUPAC name of (8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan (CID 10353201) is (8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan.
What is the SMILES notation for (8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan?
The canonical SMILES for (8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan is C=C1CCC2=C(C)Cc3occ(C)c3C[C@@H]12.
What is the InChIKey of (8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan?
The InChIKey is SWKHLQBXHZYJOP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18O/c1-9-4-5-12-10(2)6-15-14(7-13(9)12)11(3)8-16-15/h8,13H,1,4-7H2,2-3H3/t13-/m0/s1.
What are the key properties of (8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan?
(8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan has a molecular weight of 214.31 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-1,5-dimethyl-8-methylidene-6,7,8a,9-tetrahydro-4H-azuleno[6,5-b]furan is sourced from PubChem (CID 10353201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).