(2S)-1-methoxy-2-methyldec-4-yn-2-ol

C12H22O2 — CID 10608035

IUPAC(2S)-1-methoxy-2-methyldec-4-yn-2-ol
SMILESCCCCCC#CC[C@](C)(O)COC
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-9-10-12(2,13)11-14-3/h13H,4-7,10-11H2,1-3H3/t12-/m0/s1
InChIKeyVJLPDFIQYHTMAB-LBPRGKRZSA-N
MW198.31 g/mol
LogP2.36
Rot. Bonds6

About (2S)-1-methoxy-2-methyldec-4-yn-2-ol

(2S)-1-methoxy-2-methyldec-4-yn-2-ol (PubChem CID 10608035) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-1-methoxy-2-methyldec-4-yn-2-ol.

Molecular Properties

Compound Name(2S)-1-methoxy-2-methyldec-4-yn-2-ol
PubChem CID10608035
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2S)-1-methoxy-2-methyldec-4-yn-2-ol
SMILESCCCCCC#CC[C@](C)(O)COC
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-9-10-12(2,13)11-14-3/h13H,4-7,10-11H2,1-3H3/t12-/m0/s1
InChIKeyVJLPDFIQYHTMAB-LBPRGKRZSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

henicos-8-yne
CID 22224321
hexadec-2-yn-1-ol
CID 11010038
octadec-2-yn-1-ol
CID 2825194
1-[(2-methylpropan-2-yl)oxy]dec-2-yne
CID 102173268
1-methoxyundeca-2,5-diyne
CID 15141027
undec-5-yn-1-ol
CID 13113234
2-methyldec-5-yn-2-ol
CID 135039864
6-methyltridec-7-yn-6-ol
CID 10353086
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
(2R)-2-dimethoxyphosphoryldec-3-yn-2-ol
CID 135055958
carbonic acid;tetradec-7-yne
CID 90353944

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-2-methyldec-4-yn-2-ol?
The IUPAC name of (2S)-1-methoxy-2-methyldec-4-yn-2-ol (CID 10608035) is (2S)-1-methoxy-2-methyldec-4-yn-2-ol.
What is the SMILES notation for (2S)-1-methoxy-2-methyldec-4-yn-2-ol?
The canonical SMILES for (2S)-1-methoxy-2-methyldec-4-yn-2-ol is CCCCCC#CC[C@](C)(O)COC.
What is the InChIKey of (2S)-1-methoxy-2-methyldec-4-yn-2-ol?
The InChIKey is VJLPDFIQYHTMAB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-5-6-7-8-9-10-12(2,13)11-14-3/h13H,4-7,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1-methoxy-2-methyldec-4-yn-2-ol?
(2S)-1-methoxy-2-methyldec-4-yn-2-ol has a molecular weight of 198.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-2-methyldec-4-yn-2-ol is sourced from PubChem (CID 10608035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).