3,9-dimethyldodecan-6-ol

C14H30O — CID 10512837

IUPAC3,9-dimethyldodecan-6-ol
SMILESCCCC(C)CCC(O)CCC(C)CC
InChIInChI=1S/C14H30O/c1-5-7-13(4)9-11-14(15)10-8-12(3)6-2/h12-15H,5-11H2,1-4H3
InChIKeyYUCABFMYNWXOSM-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.39
Rot. Bonds9

About 3,9-dimethyldodecan-6-ol

3,9-dimethyldodecan-6-ol (PubChem CID 10512837) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 3,9-dimethyldodecan-6-ol.

Molecular Properties

Compound Name3,9-dimethyldodecan-6-ol
PubChem CID10512837
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name3,9-dimethyldodecan-6-ol
SMILESCCCC(C)CCC(O)CCC(C)CC
InChIInChI=1S/C14H30O/c1-5-7-13(4)9-11-14(15)10-8-12(3)6-2/h12-15H,5-11H2,1-4H3
InChIKeyYUCABFMYNWXOSM-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyldodecan-6-ol?
The IUPAC name of 3,9-dimethyldodecan-6-ol (CID 10512837) is 3,9-dimethyldodecan-6-ol.
What is the SMILES notation for 3,9-dimethyldodecan-6-ol?
The canonical SMILES for 3,9-dimethyldodecan-6-ol is CCCC(C)CCC(O)CCC(C)CC.
What is the InChIKey of 3,9-dimethyldodecan-6-ol?
The InChIKey is YUCABFMYNWXOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-5-7-13(4)9-11-14(15)10-8-12(3)6-2/h12-15H,5-11H2,1-4H3.
What are the key properties of 3,9-dimethyldodecan-6-ol?
3,9-dimethyldodecan-6-ol has a molecular weight of 214.39 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyldodecan-6-ol is sourced from PubChem (CID 10512837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).