(5R)-2,5,6-trimethylheptan-2-ol

C10H22O — CID 10176245

IUPAC(5R)-2,5,6-trimethylheptan-2-ol
SMILESCC(C)[C@H](C)CCC(C)(C)O
InChIInChI=1S/C10H22O/c1-8(2)9(3)6-7-10(4,5)11/h8-9,11H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyLQQYOLMGDBGEBC-SECBINFHSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds4

About (5R)-2,5,6-trimethylheptan-2-ol

(5R)-2,5,6-trimethylheptan-2-ol (PubChem CID 10176245) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (5R)-2,5,6-trimethylheptan-2-ol.

Molecular Properties

Compound Name(5R)-2,5,6-trimethylheptan-2-ol
PubChem CID10176245
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(5R)-2,5,6-trimethylheptan-2-ol
SMILESCC(C)[C@H](C)CCC(C)(C)O
InChIInChI=1S/C10H22O/c1-8(2)9(3)6-7-10(4,5)11/h8-9,11H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyLQQYOLMGDBGEBC-SECBINFHSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydrolinalool
CID 6548
p-MENTHAN-8-OL
CID 10353
2-Methyl-2-heptanol
CID 12242
p-Menthan-1-ol
CID 89437
3,6-Dimethyl-3-octanol
CID 9027
2,6-Dimethyl-2-heptanol
CID 83268
Tetrahydromyrcenol
CID 86751
2,4-Dimethyl-4-nonanol
CID 3018500
3-Methyl-3-octanol
CID 21432
2,3-Dimethyl-2-hexanol
CID 137270
3,6-Dimethyl-3-heptanol
CID 15297
2-Isopropyl-5-methylhexan-1-ol
CID 96291

Frequently Asked Questions

What is the IUPAC name of (5R)-2,5,6-trimethylheptan-2-ol?
The IUPAC name of (5R)-2,5,6-trimethylheptan-2-ol (CID 10176245) is (5R)-2,5,6-trimethylheptan-2-ol.
What is the SMILES notation for (5R)-2,5,6-trimethylheptan-2-ol?
The canonical SMILES for (5R)-2,5,6-trimethylheptan-2-ol is CC(C)[C@H](C)CCC(C)(C)O.
What is the InChIKey of (5R)-2,5,6-trimethylheptan-2-ol?
The InChIKey is LQQYOLMGDBGEBC-SECBINFHSA-N. The full InChI is InChI=1S/C10H22O/c1-8(2)9(3)6-7-10(4,5)11/h8-9,11H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of (5R)-2,5,6-trimethylheptan-2-ol?
(5R)-2,5,6-trimethylheptan-2-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,5,6-trimethylheptan-2-ol is sourced from PubChem (CID 10176245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).