2-propan-2-yl-4-propylpentane-1,5-diol

C11H24O2 — CID 18794987

IUPAC2-propan-2-yl-4-propylpentane-1,5-diol
SMILESCCCC(CO)CC(CO)C(C)C
InChIInChI=1S/C11H24O2/c1-4-5-10(7-12)6-11(8-13)9(2)3/h9-13H,4-8H2,1-3H3
InChIKeyKZEKCWYLGPCTCW-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.05
Rot. Bonds7

About 2-propan-2-yl-4-propylpentane-1,5-diol

2-propan-2-yl-4-propylpentane-1,5-diol (PubChem CID 18794987) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-propan-2-yl-4-propylpentane-1,5-diol.

Molecular Properties

Compound Name2-propan-2-yl-4-propylpentane-1,5-diol
PubChem CID18794987
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name2-propan-2-yl-4-propylpentane-1,5-diol
SMILESCCCC(CO)CC(CO)C(C)C
InChIInChI=1S/C11H24O2/c1-4-5-10(7-12)6-11(8-13)9(2)3/h9-13H,4-8H2,1-3H3
InChIKeyKZEKCWYLGPCTCW-UHFFFAOYSA-N
XLogP2.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-propan-2-yloctan-1-ol
CID 66060699
4,5,5-trimethyl-2-propylhexan-1-ol
CID 156689445
(2R,4R)-4-methyl-2-propylhexan-1-ol
CID 92950667
(4R)-4-fluoro-2-propylpentan-1-ol
CID 176624493
4,6-dimethyl-2-propylheptan-1-ol
CID 122367214
3,5-diethyl-2-methyloctane
CID 57491216
2-propan-2-ylpentane-1,4-diol
CID 22619698
2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol
CID 10655741
(2S)-2-propan-2-ylheptan-1-ol
CID 122598639
4-methyl-2-propylpentane-1,3-diol
CID 176549638
4-ethyl-2-pentylheptan-1-ol
CID 23315856
ethane;3-propylhexan-1-ol
CID 142096808

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-propylpentane-1,5-diol?
The IUPAC name of 2-propan-2-yl-4-propylpentane-1,5-diol (CID 18794987) is 2-propan-2-yl-4-propylpentane-1,5-diol.
What is the SMILES notation for 2-propan-2-yl-4-propylpentane-1,5-diol?
The canonical SMILES for 2-propan-2-yl-4-propylpentane-1,5-diol is CCCC(CO)CC(CO)C(C)C.
What is the InChIKey of 2-propan-2-yl-4-propylpentane-1,5-diol?
The InChIKey is KZEKCWYLGPCTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-4-5-10(7-12)6-11(8-13)9(2)3/h9-13H,4-8H2,1-3H3.
What are the key properties of 2-propan-2-yl-4-propylpentane-1,5-diol?
2-propan-2-yl-4-propylpentane-1,5-diol has a molecular weight of 188.31 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-propylpentane-1,5-diol is sourced from PubChem (CID 18794987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).