6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one

C19H26O2 — CID 143574311

IUPAC6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one
SMILESCC1=CC(C)C=C2C(=O)CC3(CCCCCCC3)OC2=C1
InChIInChI=1S/C19H26O2/c1-14-10-15(2)12-18-16(11-14)17(20)13-19(21-18)8-6-4-3-5-7-9-19/h10-12,14H,3-9,13H2,1-2H3
InChIKeyXGYGCNAGMOWQKA-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.87
Rot. Bonds

About 6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one

6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one (PubChem CID 143574311) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one.

Molecular Properties

Compound Name6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one
PubChem CID143574311
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one
SMILESCC1=CC(C)C=C2C(=O)CC3(CCCCCCC3)OC2=C1
InChIInChI=1S/C19H26O2/c1-14-10-15(2)12-18-16(11-14)17(20)13-19(21-18)8-6-4-3-5-7-9-19/h10-12,14H,3-9,13H2,1-2H3
InChIKeyXGYGCNAGMOWQKA-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-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

(9S)-9-methyl-2-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-1-benzoxepin-5-one
CID 101324804
(9S)-9-methyl-1-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-2-benzoxepin-5-one
CID 90475018
(9R)-9-methyl-2-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-1-benzoxepin-5-one
CID 163007671
2,7,8-Trimethyl-5-methylidene-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-one
CID 100958630
9-Methyl-2-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-1-benzoxepin-5-one
CID 163007670
6-But-2-enylidene-2,2-dimethyl-7-propylidene-5-oxaspiro[3.5]nonan-8-one
CID 91414344
3'-propan-2-ylspiro[6,7-dihydro-3H-chromene-2,1'-cyclopentane]-4-one
CID 91452244
ethane;(5E,6E)-2-ethyl-6-ethylidene-2-methyl-5-prop-2-enylideneoxan-4-one
CID 145474097
(2E,3E)-6-butan-2-yl-2-[(Z)-but-2-enylidene]-3-ethylideneoxan-4-one
CID 170135952
1-[(1Z,7S)-2,5,6,6,7-pentamethyl-10-oxabicyclo[5.2.1]deca-1,8-dien-8-yl]ethanone
CID 173565362
(5E)-5-methoxy-1-methyl-1,2,3,8,9,10-hexahydrobenzo[8]annulene-4,7-dione
CID 10933414
9-Methyl-1-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-2-benzoxepin-5-one
CID 15736695

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one?
The IUPAC name of 6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one (CID 143574311) is 6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one.
What is the SMILES notation for 6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one?
The canonical SMILES for 6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one is CC1=CC(C)C=C2C(=O)CC3(CCCCCCC3)OC2=C1.
What is the InChIKey of 6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one?
The InChIKey is XGYGCNAGMOWQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-14-10-15(2)12-18-16(11-14)17(20)13-19(21-18)8-6-4-3-5-7-9-19/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of 6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one?
6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one has a molecular weight of 286.42 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethylspiro[3,6-dihydrocyclohepta[b]pyran-2,1'-cyclooctane]-4-one is sourced from PubChem (CID 143574311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).