(7S)-2,2,7-trimethylnonan-4-ol

C12H26O — CID 168764974

IUPAC(7S)-2,2,7-trimethylnonan-4-ol
SMILESCC[C@H](C)CCC(O)CC(C)(C)C
InChIInChI=1S/C12H26O/c1-6-10(2)7-8-11(13)9-12(3,4)5/h10-11,13H,6-9H2,1-5H3/t10-,11?/m0/s1
InChIKeyHRJIPSLQTMACQT-VUWPPUDQSA-N
MW186.34 g/mol
LogP3.61
Rot. Bonds5

About (7S)-2,2,7-trimethylnonan-4-ol

(7S)-2,2,7-trimethylnonan-4-ol (PubChem CID 168764974) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is (7S)-2,2,7-trimethylnonan-4-ol.

Molecular Properties

Compound Name(7S)-2,2,7-trimethylnonan-4-ol
PubChem CID168764974
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name(7S)-2,2,7-trimethylnonan-4-ol
SMILESCC[C@H](C)CCC(O)CC(C)(C)C
InChIInChI=1S/C12H26O/c1-6-10(2)7-8-11(13)9-12(3,4)5/h10-11,13H,6-9H2,1-5H3/t10-,11?/m0/s1
InChIKeyHRJIPSLQTMACQT-VUWPPUDQSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

3,3,8-trimethyldecane-1,5-diol
CID 175265038
1-amino-5-methylheptan-2-ol
CID 54546021
methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
2,2,8,8-tetramethylnonan-4-ol
CID 19931283
2,2,6-trimethyloctane
CID 522006
2,2-dimethylundecan-4-ol
CID 59659891
2,2-dimethyltetradecan-4-ol
CID 59659889
3-hydroxy-6-methyloctanoate
CID 23176792
5-hydroxy-2,8-dimethyldecan-3-one
CID 155640629
2,2,4,8-tetramethylundecan-6-ol
CID 115789018
5,5-dimethylhexane-1,3-diol;2-methylpropanoic acid
CID 158624014

Frequently Asked Questions

What is the IUPAC name of (7S)-2,2,7-trimethylnonan-4-ol?
The IUPAC name of (7S)-2,2,7-trimethylnonan-4-ol (CID 168764974) is (7S)-2,2,7-trimethylnonan-4-ol.
What is the SMILES notation for (7S)-2,2,7-trimethylnonan-4-ol?
The canonical SMILES for (7S)-2,2,7-trimethylnonan-4-ol is CC[C@H](C)CCC(O)CC(C)(C)C.
What is the InChIKey of (7S)-2,2,7-trimethylnonan-4-ol?
The InChIKey is HRJIPSLQTMACQT-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H26O/c1-6-10(2)7-8-11(13)9-12(3,4)5/h10-11,13H,6-9H2,1-5H3/t10-,11?/m0/s1.
What are the key properties of (7S)-2,2,7-trimethylnonan-4-ol?
(7S)-2,2,7-trimethylnonan-4-ol has a molecular weight of 186.34 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2,2,7-trimethylnonan-4-ol is sourced from PubChem (CID 168764974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).