(5S)-2,2,5-trimethylheptan-3-ol

C10H22O — CID 91117012

IUPAC(5S)-2,2,5-trimethylheptan-3-ol
SMILESCC[C@H](C)CC(O)C(C)(C)C
InChIInChI=1S/C10H22O/c1-6-8(2)7-9(11)10(3,4)5/h8-9,11H,6-7H2,1-5H3/t8-,9?/m0/s1
InChIKeyKWMQRDOLIPIEKI-IENPIDJESA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds3

About (5S)-2,2,5-trimethylheptan-3-ol

(5S)-2,2,5-trimethylheptan-3-ol (PubChem CID 91117012) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (5S)-2,2,5-trimethylheptan-3-ol.

Molecular Properties

Compound Name(5S)-2,2,5-trimethylheptan-3-ol
PubChem CID91117012
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(5S)-2,2,5-trimethylheptan-3-ol
SMILESCC[C@H](C)CC(O)C(C)(C)C
InChIInChI=1S/C10H22O/c1-6-8(2)7-9(11)10(3,4)5/h8-9,11H,6-7H2,1-5H3/t8-,9?/m0/s1
InChIKeyKWMQRDOLIPIEKI-IENPIDJESA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

3,3-diethyl-6-methyloctan-4-ol
CID 156689721
3,6,6-trimethylheptane-1,5-diol
CID 78070326
2-ethoxy-2,5-dimethylheptan-3-ol
CID 116713772
2,2,5-trimethyl-3-propan-2-ylheptane
CID 57158137
(3R)-2,2-dimethylhexan-3-ol
CID 7004855
2,3,6-trimethyloctan-4-ol
CID 115789267
2,2,3,4,6-pentamethyloctane
CID 57491075
(3S)-1-amino-3-methylpentan-1-ol
CID 89066496
3-ethyl-2,2,4,6-tetramethyloctane
CID 57492379
(5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide
CID 102289117
3,5-dimethylheptane;ethane
CID 172617343
3,5-dimethylheptane;ethane;methanol;propane
CID 176685880

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2,5-trimethylheptan-3-ol?
The IUPAC name of (5S)-2,2,5-trimethylheptan-3-ol (CID 91117012) is (5S)-2,2,5-trimethylheptan-3-ol.
What is the SMILES notation for (5S)-2,2,5-trimethylheptan-3-ol?
The canonical SMILES for (5S)-2,2,5-trimethylheptan-3-ol is CC[C@H](C)CC(O)C(C)(C)C.
What is the InChIKey of (5S)-2,2,5-trimethylheptan-3-ol?
The InChIKey is KWMQRDOLIPIEKI-IENPIDJESA-N. The full InChI is InChI=1S/C10H22O/c1-6-8(2)7-9(11)10(3,4)5/h8-9,11H,6-7H2,1-5H3/t8-,9?/m0/s1.
What are the key properties of (5S)-2,2,5-trimethylheptan-3-ol?
(5S)-2,2,5-trimethylheptan-3-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2,5-trimethylheptan-3-ol is sourced from PubChem (CID 91117012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).