ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol

C12H20O — CID 143259643

IUPACethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol
SMILESCC.CC1=CCC(C)=C(O)C(C)=C1
InChIInChI=1S/C10H14O.C2H6/c1-7-4-5-8(2)10(11)9(3)6-7;1-2/h4,6,11H,5H2,1-3H3;1-2H3
InChIKeyFGPWEAVXROYQBI-UHFFFAOYSA-N
MW180.29 g/mol
LogP4.14
Rot. Bonds

About ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol

ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol (PubChem CID 143259643) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol.

Molecular Properties

Compound Nameethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol
PubChem CID143259643
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Nameethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol
SMILESCC.CC1=CCC(C)=C(O)C(C)=C1
InChIInChI=1S/C10H14O.C2H6/c1-7-4-5-8(2)10(11)9(3)6-7;1-2/h4,6,11H,5H2,1-3H3;1-2H3
InChIKeyFGPWEAVXROYQBI-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1,3,5-trimethylcyclohepta-1,3,5-triene
CID 142255845
2,6-dimethylcyclohexa-1,5-dien-1-ol
CID 14982407
sodium;hydride;(3-methylcyclopenta-1,3-dien-1-yl)silane
CID 173341629
1,3-dimethylcyclopenta-1,3-diene;zirconium
CID 73422733
1-(2,5,7-trimethylcyclohepta-1,4,6-trien-1-yl)-3-(2,4,6-trimethylphenyl)imidazolidine
CID 123547850
1-iodo-3-methylcyclopenta-1,3-diene
CID 145094237
1-tert-butyl-3-methylcyclopenta-1,3-diene;zirconium(2+);dichloride
CID 159649254
3-methyl-1-propylcyclopenta-1,3-diene
CID 18314972
5-methylcyclohepta-1,3,5-triene-1,3-dicarboxylic acid
CID 143586482
ethane;3-hydroxy-4-methylcyclopent-3-en-1-one
CID 144684299
1-(3-chloro-5-methylcyclohepta-1,3,5-trien-1-yl)ethanone
CID 143263385
1-methyl-4-(3-methylcyclopenta-1,3-dien-1-yl)-5-methylidenecyclopenta-1,3-diene
CID 156752582

Frequently Asked Questions

What is the IUPAC name of ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol?
The IUPAC name of ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol (CID 143259643) is ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol.
What is the SMILES notation for ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol?
The canonical SMILES for ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol is CC.CC1=CCC(C)=C(O)C(C)=C1.
What is the InChIKey of ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol?
The InChIKey is FGPWEAVXROYQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C2H6/c1-7-4-5-8(2)10(11)9(3)6-7;1-2/h4,6,11H,5H2,1-3H3;1-2H3.
What are the key properties of ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol?
ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol has a molecular weight of 180.29 g/mol, XLogP of 4.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol is sourced from PubChem (CID 143259643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).