3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol

C18H30O2 — CID 59229183

IUPAC3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol
SMILESC=CC1=CC(O)C(C)C(C)=C1OCCCCCCCC
InChIInChI=1S/C18H30O2/c1-5-7-8-9-10-11-12-20-18-15(4)14(3)17(19)13-16(18)6-2/h6,13-14,17,19H,2,5,7-12H2,1,3-4H3
InChIKeyIDWYIFXRQPRYHR-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.76
Rot. Bonds9

About 3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol

3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol (PubChem CID 59229183) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol
PubChem CID59229183
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol
SMILESC=CC1=CC(O)C(C)C(C)=C1OCCCCCCCC
InChIInChI=1S/C18H30O2/c1-5-7-8-9-10-11-12-20-18-15(4)14(3)17(19)13-16(18)6-2/h6,13-14,17,19H,2,5,7-12H2,1,3-4H3
InChIKeyIDWYIFXRQPRYHR-UHFFFAOYSA-N
XLogP4.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol?
The IUPAC name of 3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol (CID 59229183) is 3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol?
The canonical SMILES for 3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol is C=CC1=CC(O)C(C)C(C)=C1OCCCCCCCC.
What is the InChIKey of 3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol?
The InChIKey is IDWYIFXRQPRYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-5-7-8-9-10-11-12-20-18-15(4)14(3)17(19)13-16(18)6-2/h6,13-14,17,19H,2,5,7-12H2,1,3-4H3.
What are the key properties of 3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol?
3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol has a molecular weight of 278.44 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5,6-dimethyl-4-octoxycyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 59229183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).