6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol

C17H36O2 — CID 57011826

IUPAC6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol
SMILESCCCCC(CC)C(O)C(O)(CC(C)C)CC(C)C
InChIInChI=1S/C17H36O2/c1-7-9-10-15(8-2)16(18)17(19,11-13(3)4)12-14(5)6/h13-16,18-19H,7-12H2,1-6H3
InChIKeyZWXIFJXMHBPTEM-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.39
Rot. Bonds10

About 6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol

6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol (PubChem CID 57011826) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol.

Molecular Properties

Compound Name6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol
PubChem CID57011826
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol
SMILESCCCCC(CC)C(O)C(O)(CC(C)C)CC(C)C
InChIInChI=1S/C17H36O2/c1-7-9-10-15(8-2)16(18)17(19,11-13(3)4)12-14(5)6/h13-16,18-19H,7-12H2,1-6H3
InChIKeyZWXIFJXMHBPTEM-UHFFFAOYSA-N
XLogP4.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.47
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-Dimethyl-1,7-octanediol
CID 249494
2-Octyldodecanol
CID 21414
2-Hexyl-1-decanol
CID 95337
Dihydrophytol
CID 102459
7-Ethyl-2-methyl-4-undecanol
CID 97948
3,7-Dimethyl-7-methoxyoctan-2-ol
CID 162053
Phytantriol
CID 3018525
3,9-Diethyl-6-tridecanol
CID 225882
2-Hexyldodecanol
CID 86112
Decyltetradecanol
CID 93875
Octyldecanol
CID 3084890
3-Methylcyclopentadecan-1-ol
CID 3017316

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol?
The IUPAC name of 6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol (CID 57011826) is 6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol.
What is the SMILES notation for 6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol?
The canonical SMILES for 6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol is CCCCC(CC)C(O)C(O)(CC(C)C)CC(C)C.
What is the InChIKey of 6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol?
The InChIKey is ZWXIFJXMHBPTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-7-9-10-15(8-2)16(18)17(19,11-13(3)4)12-14(5)6/h13-16,18-19H,7-12H2,1-6H3.
What are the key properties of 6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol?
6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol has a molecular weight of 272.47 g/mol, XLogP of 4.39, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-4-(2-methylpropyl)decane-4,5-diol is sourced from PubChem (CID 57011826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).