2-butyl-2-propylheptane-1,7-diol

C14H30O2 — CID 151269549

IUPAC2-butyl-2-propylheptane-1,7-diol
SMILESCCCCC(CO)(CCC)CCCCCO
InChIInChI=1S/C14H30O2/c1-3-5-10-14(13-16,9-4-2)11-7-6-8-12-15/h15-16H,3-13H2,1-2H3
InChIKeyNWBCFHLFYASSPC-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.51
Rot. Bonds11

About 2-butyl-2-propylheptane-1,7-diol

2-butyl-2-propylheptane-1,7-diol (PubChem CID 151269549) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2-butyl-2-propylheptane-1,7-diol.

Molecular Properties

Compound Name2-butyl-2-propylheptane-1,7-diol
PubChem CID151269549
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name2-butyl-2-propylheptane-1,7-diol
SMILESCCCCC(CO)(CCC)CCCCCO
InChIInChI=1S/C14H30O2/c1-3-5-10-14(13-16,9-4-2)11-7-6-8-12-15/h15-16H,3-13H2,1-2H3
InChIKeyNWBCFHLFYASSPC-UHFFFAOYSA-N
XLogP3.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-2-ethylpropane-1,3-diol;nonane-1,9-diol
CID 157049942
4,4-dibutyldodecan-1-ol
CID 87374441
2,2-di(undecyl)tridecan-1-ol
CID 176610401
2,2-dioctyldecan-1-ol
CID 87374856
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
2-pentyl-2-propylpropane-1,3-diol
CID 18188395
4,4-dibutyloctan-1-ol
CID 58892760
2-butyl-2-ethylpropane-1,3-diol;bis(octan-1-ol);titanium
CID 18718422
3-butyl-3-ethyloctane-1,8-diol
CID 151923682
2,6-didodecyl-2,6-bis(hydroxymethyl)heptane-1,7-diol
CID 142452979
2-(iodomethyl)-2-propylhexan-1-ol
CID 154188986

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-propylheptane-1,7-diol?
The IUPAC name of 2-butyl-2-propylheptane-1,7-diol (CID 151269549) is 2-butyl-2-propylheptane-1,7-diol.
What is the SMILES notation for 2-butyl-2-propylheptane-1,7-diol?
The canonical SMILES for 2-butyl-2-propylheptane-1,7-diol is CCCCC(CO)(CCC)CCCCCO.
What is the InChIKey of 2-butyl-2-propylheptane-1,7-diol?
The InChIKey is NWBCFHLFYASSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-3-5-10-14(13-16,9-4-2)11-7-6-8-12-15/h15-16H,3-13H2,1-2H3.
What are the key properties of 2-butyl-2-propylheptane-1,7-diol?
2-butyl-2-propylheptane-1,7-diol has a molecular weight of 230.39 g/mol, XLogP of 3.51, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-propylheptane-1,7-diol is sourced from PubChem (CID 151269549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).