(2S,4R)-2,4,6-trimethylheptan-1-ol

C10H22O — CID 13109020

IUPAC(2S,4R)-2,4,6-trimethylheptan-1-ol
SMILESCC(C)C[C@@H](C)C[C@H](C)CO
InChIInChI=1S/C10H22O/c1-8(2)5-9(3)6-10(4)7-11/h8-11H,5-7H2,1-4H3/t9-,10+/m1/s1
InChIKeySPZKOUBIZRBFQY-ZJUUUORDSA-N
MW158.28 g/mol
LogP2.69
Rot. Bonds5

About (2S,4R)-2,4,6-trimethylheptan-1-ol

(2S,4R)-2,4,6-trimethylheptan-1-ol (PubChem CID 13109020) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (2S,4R)-2,4,6-trimethylheptan-1-ol.

Molecular Properties

Compound Name(2S,4R)-2,4,6-trimethylheptan-1-ol
PubChem CID13109020
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(2S,4R)-2,4,6-trimethylheptan-1-ol
SMILESCC(C)C[C@@H](C)C[C@H](C)CO
InChIInChI=1S/C10H22O/c1-8(2)5-9(3)6-10(4)7-11/h8-11H,5-7H2,1-4H3/t9-,10+/m1/s1
InChIKeySPZKOUBIZRBFQY-ZJUUUORDSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10964552
2,4,6,8,10,12,14,16,18,20-decamethylhenicosane
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(4R,8R)-2,4,6,8,10-pentamethylundecane
CID 134836322
(2S,4R,6R,8R,10R)-2,4,6,8,10-pentamethyldodecan-1-ol
CID 54763066
propane;2,4,6-trimethylheptane
CID 165013878
acetylene;2,4,6-trimethylheptane
CID 144531255
2,4,6,8-tetramethyldecane
CID 54224604
6,7-dibromo-2,4-dimethylheptan-1-ol
CID 18921063
(2R,4S,6S)-2,4-dimethylnonane-1,6-diol
CID 129322484
4,6-dimethyl-2-propylheptan-1-ol
CID 122367214
2,4-dimethylheptane-1,7-diol
CID 175358767
(2S)-4-methylpentane-1,2-diol;sulfane
CID 159079830

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4,6-trimethylheptan-1-ol?
The IUPAC name of (2S,4R)-2,4,6-trimethylheptan-1-ol (CID 13109020) is (2S,4R)-2,4,6-trimethylheptan-1-ol.
What is the SMILES notation for (2S,4R)-2,4,6-trimethylheptan-1-ol?
The canonical SMILES for (2S,4R)-2,4,6-trimethylheptan-1-ol is CC(C)C[C@@H](C)C[C@H](C)CO.
What is the InChIKey of (2S,4R)-2,4,6-trimethylheptan-1-ol?
The InChIKey is SPZKOUBIZRBFQY-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H22O/c1-8(2)5-9(3)6-10(4)7-11/h8-11H,5-7H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (2S,4R)-2,4,6-trimethylheptan-1-ol?
(2S,4R)-2,4,6-trimethylheptan-1-ol has a molecular weight of 158.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,4,6-trimethylheptan-1-ol is sourced from PubChem (CID 13109020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).