(5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol

C12H16O — CID 123912422

IUPAC(5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol
SMILESC=C1C=CC(CC)=CCC=C1CO
InChIInChI=1S/C12H16O/c1-3-11-5-4-6-12(9-13)10(2)7-8-11/h5-8,13H,2-4,9H2,1H3
InChIKeySKPWWMQVBXBCPZ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.76
Rot. Bonds2

About (5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol

(5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol (PubChem CID 123912422) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol
PubChem CID123912422
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol
SMILESC=C1C=CC(CC)=CCC=C1CO
InChIInChI=1S/C12H16O/c1-3-11-5-4-6-12(9-13)10(2)7-8-11/h5-8,13H,2-4,9H2,1H3
InChIKeySKPWWMQVBXBCPZ-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol
CID 145053129
5-(hydroxymethyl)cyclohepta-1,4,6-trien-1-ol
CID 143593276
dichlorotitanium;2,3-diethylcyclopenta-1,3-diene
CID 174352745
2,3-diethyl-5-methylcyclohepta-1,3,5-triene
CID 142887028
1,4-diethylcyclohexa-2,4-dien-1-ol
CID 67887745
ethane;3-ethyl-N-methyl-7-[2-(1-methylcyclopropyl)prop-2-enyl]cyclohepta-1,3,6-trien-1-amine;2-methylpropan-2-ol;hydrate
CID 144560050
(3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene
CID 163889597
(3-ethyl-2-methyl-7-propylcyclohepta-1,3,6-trien-1-yl)phosphane
CID 166651426
2-methoxy-5-propylcyclohepta-1,3,5-triene
CID 143063211
2-ethyl-5-propan-2-ylidenecyclopenta-1,3-diene
CID 12934680
4-ethylcyclohexa-2,4-diene-1-thiol
CID 130239972
2-(5-dimethylsilylcyclopenta-1,4-dien-1-yl)ethanol
CID 173212243

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol?
The IUPAC name of (5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol (CID 123912422) is (5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol.
What is the SMILES notation for (5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol?
The canonical SMILES for (5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol is C=C1C=CC(CC)=CCC=C1CO.
What is the InChIKey of (5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol?
The InChIKey is SKPWWMQVBXBCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-11-5-4-6-12(9-13)10(2)7-8-11/h5-8,13H,2-4,9H2,1H3.
What are the key properties of (5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol?
(5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol has a molecular weight of 176.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol is sourced from PubChem (CID 123912422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).