10-methyl-4-propylundecan-4-ol

C15H32O — CID 156689332

IUPAC10-methyl-4-propylundecan-4-ol
SMILESCCCC(O)(CCC)CCCCCC(C)C
InChIInChI=1S/C15H32O/c1-5-11-15(16,12-6-2)13-9-7-8-10-14(3)4/h14,16H,5-13H2,1-4H3
InChIKeyNJYBSLCRYDKNBW-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.92
Rot. Bonds10

About 10-methyl-4-propylundecan-4-ol

10-methyl-4-propylundecan-4-ol (PubChem CID 156689332) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 10-methyl-4-propylundecan-4-ol.

Molecular Properties

Compound Name10-methyl-4-propylundecan-4-ol
PubChem CID156689332
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name10-methyl-4-propylundecan-4-ol
SMILESCCCC(O)(CCC)CCCCCC(C)C
InChIInChI=1S/C15H32O/c1-5-11-15(16,12-6-2)13-9-7-8-10-14(3)4/h14,16H,5-13H2,1-4H3
InChIKeyNJYBSLCRYDKNBW-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-propyloctane-1,2-diol
CID 88923937
12-propylpentadecane-1,12-diol
CID 146590856
7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
6,6-dibutyl-2-methyldecane
CID 150480915
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
CID 157290295
6-methyl-2-(2-methylpropyl)heptane-1,2-diol
CID 171442388
19-(7-methyloctyl)heptatriacontan-19-yl dihydrogen phosphite
CID 141190612
2-methyloctacosane
CID 519147
2-methylpentaoctacontane
CID 90745672
2-methyltetratriacontane
CID 14275207

Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-propylundecan-4-ol?
The IUPAC name of 10-methyl-4-propylundecan-4-ol (CID 156689332) is 10-methyl-4-propylundecan-4-ol.
What is the SMILES notation for 10-methyl-4-propylundecan-4-ol?
The canonical SMILES for 10-methyl-4-propylundecan-4-ol is CCCC(O)(CCC)CCCCCC(C)C.
What is the InChIKey of 10-methyl-4-propylundecan-4-ol?
The InChIKey is NJYBSLCRYDKNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-5-11-15(16,12-6-2)13-9-7-8-10-14(3)4/h14,16H,5-13H2,1-4H3.
What are the key properties of 10-methyl-4-propylundecan-4-ol?
10-methyl-4-propylundecan-4-ol has a molecular weight of 228.42 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-propylundecan-4-ol is sourced from PubChem (CID 156689332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).