7,7,9-trimethyldecan-5-ol

C13H28O — CID 139968477

IUPAC7,7,9-trimethyldecan-5-ol
SMILESCCCCC(O)CC(C)(C)CC(C)C
InChIInChI=1S/C13H28O/c1-6-7-8-12(14)10-13(4,5)9-11(2)3/h11-12,14H,6-10H2,1-5H3
InChIKeyLUIKWJVDRMWKRJ-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.00
Rot. Bonds7

About 7,7,9-trimethyldecan-5-ol

7,7,9-trimethyldecan-5-ol (PubChem CID 139968477) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 7,7,9-trimethyldecan-5-ol.

Molecular Properties

Compound Name7,7,9-trimethyldecan-5-ol
PubChem CID139968477
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name7,7,9-trimethyldecan-5-ol
SMILESCCCCC(O)CC(C)(C)CC(C)C
InChIInChI=1S/C13H28O/c1-6-7-8-12(14)10-13(4,5)9-11(2)3/h11-12,14H,6-10H2,1-5H3
InChIKeyLUIKWJVDRMWKRJ-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylundecan-4-ol
CID 59659891
2,2-dimethyltetradecan-4-ol
CID 59659889
7,7,9-trimethyldecane-1,3-diol
CID 57089322
CID 172776718
CID 172776718
2-methyltridecane-2,4-diol
CID 90439736
2-aminononan-5-ol
CID 123577589
2-methylundecan-5-ol
CID 544080
2-sulfanylnonan-5-ol
CID 150190402
(3R,5R)-2,3-dimethylnonane-2,5-diol
CID 10465096
(5R,7S)-undecane-5,7-diol
CID 10899409
2,2,8,8-tetramethylnonan-4-ol
CID 19931283
3,3-dimethylpentane;2-methylhexane
CID 158289309

Frequently Asked Questions

What is the IUPAC name of 7,7,9-trimethyldecan-5-ol?
The IUPAC name of 7,7,9-trimethyldecan-5-ol (CID 139968477) is 7,7,9-trimethyldecan-5-ol.
What is the SMILES notation for 7,7,9-trimethyldecan-5-ol?
The canonical SMILES for 7,7,9-trimethyldecan-5-ol is CCCCC(O)CC(C)(C)CC(C)C.
What is the InChIKey of 7,7,9-trimethyldecan-5-ol?
The InChIKey is LUIKWJVDRMWKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-6-7-8-12(14)10-13(4,5)9-11(2)3/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 7,7,9-trimethyldecan-5-ol?
7,7,9-trimethyldecan-5-ol has a molecular weight of 200.37 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,9-trimethyldecan-5-ol is sourced from PubChem (CID 139968477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).