dodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone

C19H32O3 — CID 158454855

IUPACdodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone
SMILESCCCCCCCCC(O)CCC.O=C=C1C=CC=CC1O
InChIInChI=1S/C12H26O.C7H6O2/c1-3-5-6-7-8-9-11-12(13)10-4-2;8-5-6-3-1-2-4-7(6)9/h12-13H,3-11H2,1-2H3;1-4,7,9H
InChIKeyZCNRZARMSJUUMY-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.13
Rot. Bonds9

About dodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone

dodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone (PubChem CID 158454855) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is dodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone.

Molecular Properties

Compound Namedodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone
PubChem CID158454855
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Namedodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone
SMILESCCCCCCCCC(O)CCC.O=C=C1C=CC=CC1O
InChIInChI=1S/C12H26O.C7H6O2/c1-3-5-6-7-8-9-11-12(13)10-4-2;8-5-6-3-1-2-4-7(6)9/h12-13H,3-11H2,1-2H3;1-4,7,9H
InChIKeyZCNRZARMSJUUMY-UHFFFAOYSA-N
XLogP4.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octacosan-4-ol
CID 54117167
(4S)-nonadecan-4-ol
CID 89325355
icosan-9-ol
CID 11983377
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
tritetracontan-5-ol
CID 162898528
(5S)-octadecan-5-ol
CID 98231191

Frequently Asked Questions

What is the IUPAC name of dodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone?
The IUPAC name of dodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone (CID 158454855) is dodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone.
What is the SMILES notation for dodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone?
The canonical SMILES for dodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone is CCCCCCCCC(O)CCC.O=C=C1C=CC=CC1O.
What is the InChIKey of dodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone?
The InChIKey is ZCNRZARMSJUUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C7H6O2/c1-3-5-6-7-8-9-11-12(13)10-4-2;8-5-6-3-1-2-4-7(6)9/h12-13H,3-11H2,1-2H3;1-4,7,9H.
What are the key properties of dodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone?
dodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone has a molecular weight of 308.46 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-4-ol;(6-hydroxycyclohexa-2,4-dien-1-ylidene)methanone is sourced from PubChem (CID 158454855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).