2,2-dimethyldodecan-6-ol

C14H30O — CID 175569881

IUPAC2,2-dimethyldodecan-6-ol
SMILESCCCCCCC(O)CCCC(C)(C)C
InChIInChI=1S/C14H30O/c1-5-6-7-8-10-13(15)11-9-12-14(2,3)4/h13,15H,5-12H2,1-4H3
InChIKeyOHHQGKIMMJKDEE-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.53
Rot. Bonds8

About 2,2-dimethyldodecan-6-ol

2,2-dimethyldodecan-6-ol (PubChem CID 175569881) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 2,2-dimethyldodecan-6-ol.

Molecular Properties

Compound Name2,2-dimethyldodecan-6-ol
PubChem CID175569881
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name2,2-dimethyldodecan-6-ol
SMILESCCCCCCC(O)CCCC(C)(C)C
InChIInChI=1S/C14H30O/c1-5-6-7-8-10-13(15)11-9-12-14(2,3)4/h13,15H,5-12H2,1-4H3
InChIKeyOHHQGKIMMJKDEE-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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9,9-dimethyldecan-4-ol
CID 18798749
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
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
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyldodecan-6-ol?
The IUPAC name of 2,2-dimethyldodecan-6-ol (CID 175569881) is 2,2-dimethyldodecan-6-ol.
What is the SMILES notation for 2,2-dimethyldodecan-6-ol?
The canonical SMILES for 2,2-dimethyldodecan-6-ol is CCCCCCC(O)CCCC(C)(C)C.
What is the InChIKey of 2,2-dimethyldodecan-6-ol?
The InChIKey is OHHQGKIMMJKDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-5-6-7-8-10-13(15)11-9-12-14(2,3)4/h13,15H,5-12H2,1-4H3.
What are the key properties of 2,2-dimethyldodecan-6-ol?
2,2-dimethyldodecan-6-ol has a molecular weight of 214.39 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyldodecan-6-ol is sourced from PubChem (CID 175569881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).