2,6-dimethyl-4-propylheptan-4-ol

C12H26O — CID 582114

IUPAC2,6-dimethyl-4-propylheptan-4-ol
SMILESCCCC(O)(CC(C)C)CC(C)C
InChIInChI=1S/C12H26O/c1-6-7-12(13,8-10(2)3)9-11(4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyNUBHTZIKPVDNLE-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.61
Rot. Bonds6

About 2,6-dimethyl-4-propylheptan-4-ol

2,6-dimethyl-4-propylheptan-4-ol (PubChem CID 582114) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-propylheptan-4-ol.

Molecular Properties

Compound Name2,6-dimethyl-4-propylheptan-4-ol
PubChem CID582114
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name2,6-dimethyl-4-propylheptan-4-ol
SMILESCCCC(O)(CC(C)C)CC(C)C
InChIInChI=1S/C12H26O/c1-6-7-12(13,8-10(2)3)9-11(4)5/h10-11,13H,6-9H2,1-5H3
InChIKeyNUBHTZIKPVDNLE-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydrolinalool
CID 6548
2-Methyl-2-heptanol
CID 12242
2,4-Dimethyl-4-nonanol
CID 3018500
3,6-Dimethyl-3-octanol
CID 9027
2,6-Dimethyl-2-heptanol
CID 83268
Tetrahydromyrcenol
CID 86751
3-Methyl-3-octanol
CID 21432
3-Hexanol, 3-methyl-
CID 11708
2,3-Dimethyl-2-hexanol
CID 137270
3,5-Dimethyl-3-hexanol
CID 98266
3,6-Dimethyl-3-heptanol
CID 15297
3-Methyl-3-heptanol
CID 11710

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-propylheptan-4-ol?
The IUPAC name of 2,6-dimethyl-4-propylheptan-4-ol (CID 582114) is 2,6-dimethyl-4-propylheptan-4-ol.
What is the SMILES notation for 2,6-dimethyl-4-propylheptan-4-ol?
The canonical SMILES for 2,6-dimethyl-4-propylheptan-4-ol is CCCC(O)(CC(C)C)CC(C)C.
What is the InChIKey of 2,6-dimethyl-4-propylheptan-4-ol?
The InChIKey is NUBHTZIKPVDNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-6-7-12(13,8-10(2)3)9-11(4)5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 2,6-dimethyl-4-propylheptan-4-ol?
2,6-dimethyl-4-propylheptan-4-ol has a molecular weight of 186.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-propylheptan-4-ol is sourced from PubChem (CID 582114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).