2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene

C12H20O — CID 91450704

IUPAC2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene
SMILESC=C1CCCC2CCC(C)(C)OC12
InChIInChI=1S/C12H20O/c1-9-5-4-6-10-7-8-12(2,3)13-11(9)10/h10-11H,1,4-8H2,2-3H3
InChIKeyHHNFAUTYDCTWGE-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.30
Rot. Bonds

About 2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene

2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene (PubChem CID 91450704) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene.

Molecular Properties

Compound Name2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene
PubChem CID91450704
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene
SMILESC=C1CCCC2CCC(C)(C)OC12
InChIInChI=1S/C12H20O/c1-9-5-4-6-10-7-8-12(2,3)13-11(9)10/h10-11H,1,4-8H2,2-3H3
InChIKeyHHNFAUTYDCTWGE-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.30
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

(2S,4aR,8R,8aS)-2-ethenyl-2,8,8a-trimethyl-5-methylidene-3,4,4a,6,7,8-hexahydrochromene
CID 21773084
Herbal undecanol
CID 14437951
[2-Methyl-1-(2-methylprop-2-enoxy)prop-2-enyl]cyclohexane
CID 20816777
2-(4-Methylpent-1-en-2-yl)oxane
CID 70645404
6-Fluoro-8-methylidene-2,3,4,4a,5,6,7,8a-octahydrochromene
CID 90730453
(2S,4S,6R)-2,4-Dimethyl-8-methylene-1-oxaspiro[5.5]undecane
CID 10512034
3-methylidene-4a,5,6,7,8,8a-hexahydro-4H-chromene
CID 14437955
(2R,4aS,8aR)-2-ethenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 101840402
2-Cyclohexyl-4-methyl-5-methylideneoxane
CID 134966506
[2-Methylidene-3-(2-methylpropoxy)butyl]cyclohexane
CID 176427915
(3-Ethoxy-2-methylidenebutyl)cyclohexane
CID 176427919
2-Methyl-4-methylidene-1-oxaspiro[5.5]undecane
CID 5050874

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene?
The IUPAC name of 2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene (CID 91450704) is 2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene.
What is the SMILES notation for 2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene?
The canonical SMILES for 2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene is C=C1CCCC2CCC(C)(C)OC12.
What is the InChIKey of 2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene?
The InChIKey is HHNFAUTYDCTWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9-5-4-6-10-7-8-12(2,3)13-11(9)10/h10-11H,1,4-8H2,2-3H3.
What are the key properties of 2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene?
2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene has a molecular weight of 180.29 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-8-methylidene-4,4a,5,6,7,8a-hexahydro-3H-chromene is sourced from PubChem (CID 91450704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).