2,3,4-tributylpentane-1,5-diol

C17H36O2 — CID 174428369

IUPAC2,3,4-tributylpentane-1,5-diol
SMILESCCCCC(CO)C(CCCC)C(CO)CCCC
InChIInChI=1S/C17H36O2/c1-4-7-10-15(13-18)17(12-9-6-3)16(14-19)11-8-5-2/h15-19H,4-14H2,1-3H3
InChIKeyNZFCPEJLBMHZRB-UHFFFAOYSA-N
MW272.47 g/mol
LogP4.39
Rot. Bonds13

About 2,3,4-tributylpentane-1,5-diol

2,3,4-tributylpentane-1,5-diol (PubChem CID 174428369) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 2,3,4-tributylpentane-1,5-diol.

Molecular Properties

Compound Name2,3,4-tributylpentane-1,5-diol
PubChem CID174428369
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name2,3,4-tributylpentane-1,5-diol
SMILESCCCCC(CO)C(CCCC)C(CO)CCCC
InChIInChI=1S/C17H36O2/c1-4-7-10-15(13-18)17(12-9-6-3)16(14-19)11-8-5-2/h15-19H,4-14H2,1-3H3
InChIKeyNZFCPEJLBMHZRB-UHFFFAOYSA-N
XLogP4.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
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

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CID 175029890
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2-butyl-3-(hydroxymethyl)hexane-1,6-diol
CID 175072531
3-ethyl-2-heptan-3-ylheptan-1-ol
CID 170847817
2-butylhexane-1,3-diol
CID 18522832
1-amino-2-butylpropane-1,3-diol
CID 174805144
(2S)-2-propan-2-ylheptan-1-ol
CID 122598639
(7R,8S)-8-hexyl-7-[(4R)-octan-4-yl]heptadecane
CID 166447772
2-pent-1-yn-3-ylhexan-1-ol
CID 123964878
2-butan-2-ylheptan-1-ol
CID 86041006
2-heptacosan-14-ylbutane-1,4-diol
CID 89333214
2-pentan-2-ylnonan-1-ol
CID 23316007

Frequently Asked Questions

What is the IUPAC name of 2,3,4-tributylpentane-1,5-diol?
The IUPAC name of 2,3,4-tributylpentane-1,5-diol (CID 174428369) is 2,3,4-tributylpentane-1,5-diol.
What is the SMILES notation for 2,3,4-tributylpentane-1,5-diol?
The canonical SMILES for 2,3,4-tributylpentane-1,5-diol is CCCCC(CO)C(CCCC)C(CO)CCCC.
What is the InChIKey of 2,3,4-tributylpentane-1,5-diol?
The InChIKey is NZFCPEJLBMHZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-4-7-10-15(13-18)17(12-9-6-3)16(14-19)11-8-5-2/h15-19H,4-14H2,1-3H3.
What are the key properties of 2,3,4-tributylpentane-1,5-diol?
2,3,4-tributylpentane-1,5-diol has a molecular weight of 272.47 g/mol, XLogP of 4.39, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tributylpentane-1,5-diol is sourced from PubChem (CID 174428369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).