7,7-dimethyltrideca-1,12-diene-6,8-diol

C15H28O2 — CID 141249788

IUPAC7,7-dimethyltrideca-1,12-diene-6,8-diol
SMILESC=CCCCC(O)C(C)(C)C(O)CCCC=C
InChIInChI=1S/C15H28O2/c1-5-7-9-11-13(16)15(3,4)14(17)12-10-8-6-2/h5-6,13-14,16-17H,1-2,7-12H2,3-4H3
InChIKeyUOVUJERLHGFTAQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.45
Rot. Bonds10

About 7,7-dimethyltrideca-1,12-diene-6,8-diol

7,7-dimethyltrideca-1,12-diene-6,8-diol (PubChem CID 141249788) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 7,7-dimethyltrideca-1,12-diene-6,8-diol.

Molecular Properties

Compound Name7,7-dimethyltrideca-1,12-diene-6,8-diol
PubChem CID141249788
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name7,7-dimethyltrideca-1,12-diene-6,8-diol
SMILESC=CCCCC(O)C(C)(C)C(O)CCCC=C
InChIInChI=1S/C15H28O2/c1-5-7-9-11-13(16)15(3,4)14(17)12-10-8-6-2/h5-6,13-14,16-17H,1-2,7-12H2,3-4H3
InChIKeyUOVUJERLHGFTAQ-UHFFFAOYSA-N
XLogP3.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methylundec-1-en-4-ol
CID 12794264
1-(1-(2-Propenyl)cyclohexyl)methanol
CID 20328679
(3S,4R)-3-methyltridec-1-en-4-ol
CID 11031172
(3R,4R)-3-methyltridec-1-en-4-ol
CID 13096085
3,3-Dimethyl-1-decen-4-ol
CID 14120387
Non-8-ene-2,4-diol
CID 3808271
(1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol
CID 11276209
1,3-Propanediol, 2-(hydroxymethyl)-2-(8-nonenyl)-
CID 11521477
3,3-Dimethyldodec-1-en-4-ol
CID 13899555
(1R,2S,3R,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol
CID 57681721
(1S,3S)-1-cyclohexylhex-5-ene-1,3-diol
CID 57681723
(1S,3R,4R)-1-cyclohexyl-4-methylhex-5-ene-1,3-diol
CID 57681724

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyltrideca-1,12-diene-6,8-diol?
The IUPAC name of 7,7-dimethyltrideca-1,12-diene-6,8-diol (CID 141249788) is 7,7-dimethyltrideca-1,12-diene-6,8-diol.
What is the SMILES notation for 7,7-dimethyltrideca-1,12-diene-6,8-diol?
The canonical SMILES for 7,7-dimethyltrideca-1,12-diene-6,8-diol is C=CCCCC(O)C(C)(C)C(O)CCCC=C.
What is the InChIKey of 7,7-dimethyltrideca-1,12-diene-6,8-diol?
The InChIKey is UOVUJERLHGFTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-5-7-9-11-13(16)15(3,4)14(17)12-10-8-6-2/h5-6,13-14,16-17H,1-2,7-12H2,3-4H3.
What are the key properties of 7,7-dimethyltrideca-1,12-diene-6,8-diol?
7,7-dimethyltrideca-1,12-diene-6,8-diol has a molecular weight of 240.39 g/mol, XLogP of 3.45, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyltrideca-1,12-diene-6,8-diol is sourced from PubChem (CID 141249788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).