ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol

C16H28O — CID 142195088

IUPACethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol
SMILESC=CC1CC2C=CC=CC2CC1C.CC.CO
InChIInChI=1S/C13H18.C2H6.CH4O/c1-3-11-9-13-7-5-4-6-12(13)8-10(11)2;2*1-2/h3-7,10-13H,1,8-9H2,2H3;1-2H3;2H,1H3
InChIKeyIKECXLPKHSHABH-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.21
Rot. Bonds1

About ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol

ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol (PubChem CID 142195088) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol.

Molecular Properties

Compound Nameethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol
PubChem CID142195088
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Nameethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol
SMILESC=CC1CC2C=CC=CC2CC1C.CC.CO
InChIInChI=1S/C13H18.C2H6.CH4O/c1-3-11-9-13-7-5-4-6-12(13)8-10(11)2;2*1-2/h3-7,10-13H,1,8-9H2,2H3;1-2H3;2H,1H3
InChIKeyIKECXLPKHSHABH-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene
CID 142195089
1,2,4-tris(ethenyl)-5-methylcyclohexane
CID 91133944
7-methylbicyclo[4.2.0]octa-2,4-diene
CID 14703991
(1S)-1,2-dimethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 140862858
2-ethenylcyclopropan-1-ol
CID 54500145
2-ethenyl-4-methylcyclopentan-1-ol
CID 142139319
[1-[2-(2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-yl]oxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630452
2-ethenyl-5-methylcyclohexan-1-ol
CID 58534305
ethane;5-methylcyclopenta-1,3-diene
CID 91295870
2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol
CID 102275585
1-but-3-enyl-3-methyl-2,3,3a,7a-tetrahydro-1H-indene
CID 148825764
(5R)-5-ethenylbicyclo[2.2.1]hept-2-ene
CID 6428575

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol?
The IUPAC name of ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol (CID 142195088) is ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol.
What is the SMILES notation for ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol?
The canonical SMILES for ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol is C=CC1CC2C=CC=CC2CC1C.CC.CO.
What is the InChIKey of ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol?
The InChIKey is IKECXLPKHSHABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C2H6.CH4O/c1-3-11-9-13-7-5-4-6-12(13)8-10(11)2;2*1-2/h3-7,10-13H,1,8-9H2,2H3;1-2H3;2H,1H3.
What are the key properties of ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol?
ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol has a molecular weight of 236.40 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol is sourced from PubChem (CID 142195088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).