1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one

C15H22O3 — CID 20668764

IUPAC1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
SMILESCC1=C2CCC3(OCCO3)C(C)C2(C)CCC1=O
InChIInChI=1S/C15H22O3/c1-10-12-4-7-15(17-8-9-18-15)11(2)14(12,3)6-5-13(10)16/h11H,4-9H2,1-3H3
InChIKeyUYQRROMWDMBWCX-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.85
Rot. Bonds

About 1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one

1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one (PubChem CID 20668764) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one.

Molecular Properties

Compound Name1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
PubChem CID20668764
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
SMILESCC1=C2CCC3(OCCO3)C(C)C2(C)CCC1=O
InChIInChI=1S/C15H22O3/c1-10-12-4-7-15(17-8-9-18-15)11(2)14(12,3)6-5-13(10)16/h11H,4-9H2,1-3H3
InChIKeyUYQRROMWDMBWCX-UHFFFAOYSA-N
XLogP2.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Armatin E
CID 11357545
(1S,3aS,9S,9aS,9bR)-3a-hydroxy-1,9,9a-trimethyl-2,4,5,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-7-one
CID 101789793
(4'aS)-1',4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 10879118
5,5-(Ethylenedioxy)-4a-methyl-2,3,4,4a,5,6,7,8-octahydronaphtalen-2-one
CID 10922101
(R)-Spiro[1,3-dioxolane-2,1'(2'H)-naphthalen]-6'(5'H)-one, 3',7',8',8'A-tetrahydro-8'A-methyl-
CID 10922104
(4'aR)-1',4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 11817214
(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 12373743
1,4-Dioxadispiro[4.1.57.35]pentadec-8-en-10-one
CID 85988981
4'a-prop-2-enylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 359242
(1S,3aS,9S,9aS,9bR)-3a-methoxy-1,9,9a-trimethyl-2,4,5,8,9,9b-hexahydro-1H-benzo[e][1]benzofuran-7-one
CID 53248001
(1S,2S,3aS,9S,9aS,9bR)-2-methoxy-1,9,9a-trimethyl-1,2,3a,4,5,8,9,9b-octahydrobenzo[e][1]benzofuran-7-one
CID 53248114
(4'aR)-1',4'a-dimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 10933480

Frequently Asked Questions

What is the IUPAC name of 1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one?
The IUPAC name of 1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one (CID 20668764) is 1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one.
What is the SMILES notation for 1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one?
The canonical SMILES for 1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one is CC1=C2CCC3(OCCO3)C(C)C2(C)CCC1=O.
What is the InChIKey of 1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one?
The InChIKey is UYQRROMWDMBWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-10-12-4-7-15(17-8-9-18-15)11(2)14(12,3)6-5-13(10)16/h11H,4-9H2,1-3H3.
What are the key properties of 1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one?
1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one has a molecular weight of 250.34 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',4'a,5'-trimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one is sourced from PubChem (CID 20668764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).