7,8,8,9,9-pentamethyldecane-3,7-diol

C15H32O2 — CID 174442476

IUPAC7,8,8,9,9-pentamethyldecane-3,7-diol
SMILESCCC(O)CCCC(C)(O)C(C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2/c1-8-12(16)10-9-11-15(7,17)14(5,6)13(2,3)4/h12,16-17H,8-11H2,1-7H3
InChIKeyZXBLEZDHHICITN-UHFFFAOYSA-N
MW244.42 g/mol
LogP3.75
Rot. Bonds6

About 7,8,8,9,9-pentamethyldecane-3,7-diol

7,8,8,9,9-pentamethyldecane-3,7-diol (PubChem CID 174442476) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 7,8,8,9,9-pentamethyldecane-3,7-diol.

Molecular Properties

Compound Name7,8,8,9,9-pentamethyldecane-3,7-diol
PubChem CID174442476
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name7,8,8,9,9-pentamethyldecane-3,7-diol
SMILESCCC(O)CCCC(C)(O)C(C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2/c1-8-12(16)10-9-11-15(7,17)14(5,6)13(2,3)4/h12,16-17H,8-11H2,1-7H3
InChIKeyZXBLEZDHHICITN-UHFFFAOYSA-N
XLogP3.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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9,9-dimethyldecan-3-ol
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tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994
(3R,9S)-6,6-dimethylundecane-3,9-diol
CID 89346944
(5R)-heptane-1,5-diol
CID 170849468
ethane;heptan-3-ol;yttrium
CID 178141983
icosan-3-ol
CID 14940768
2-(hydroxymethyl)heptane-1,2,5-triol
CID 54191121
3,4-dimethylnonane-3,7-diol
CID 175238278
decane-1,2,8-triol
CID 88722169
dodecan-3-ol;propane
CID 159624658

Frequently Asked Questions

What is the IUPAC name of 7,8,8,9,9-pentamethyldecane-3,7-diol?
The IUPAC name of 7,8,8,9,9-pentamethyldecane-3,7-diol (CID 174442476) is 7,8,8,9,9-pentamethyldecane-3,7-diol.
What is the SMILES notation for 7,8,8,9,9-pentamethyldecane-3,7-diol?
The canonical SMILES for 7,8,8,9,9-pentamethyldecane-3,7-diol is CCC(O)CCCC(C)(O)C(C)(C)C(C)(C)C.
What is the InChIKey of 7,8,8,9,9-pentamethyldecane-3,7-diol?
The InChIKey is ZXBLEZDHHICITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-8-12(16)10-9-11-15(7,17)14(5,6)13(2,3)4/h12,16-17H,8-11H2,1-7H3.
What are the key properties of 7,8,8,9,9-pentamethyldecane-3,7-diol?
7,8,8,9,9-pentamethyldecane-3,7-diol has a molecular weight of 244.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,8,9,9-pentamethyldecane-3,7-diol is sourced from PubChem (CID 174442476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).