methane;2-methylpent-3-yn-2-yloxymethanol

C10H24O2 — CID 157063201

IUPACmethane;2-methylpent-3-yn-2-yloxymethanol
SMILESC.C.C.CC#CC(C)(C)OCO
InChIInChI=1S/C7H12O2.3CH4/c1-4-5-7(2,3)9-6-8;;;/h8H,6H2,1-3H3;3*1H4
InChIKeyABOHHKXLITZDOU-UHFFFAOYSA-N
MW176.30 g/mol
LogP2.66
Rot. Bonds2

About methane;2-methylpent-3-yn-2-yloxymethanol

methane;2-methylpent-3-yn-2-yloxymethanol (PubChem CID 157063201) has the molecular formula C10H24O2 and a molecular weight of 176.30 g/mol. Its IUPAC name is methane;2-methylpent-3-yn-2-yloxymethanol.

Molecular Properties

Compound Namemethane;2-methylpent-3-yn-2-yloxymethanol
PubChem CID157063201
Molecular FormulaC10H24O2
Molecular Weight176.30 g/mol
Exact Mass176.18
IUPAC Namemethane;2-methylpent-3-yn-2-yloxymethanol
SMILESC.C.C.CC#CC(C)(C)OCO
InChIInChI=1S/C7H12O2.3CH4/c1-4-5-7(2,3)9-6-8;;;/h8H,6H2,1-3H3;3*1H4
InChIKeyABOHHKXLITZDOU-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroperoxy-4-methylpent-2-yne
CID 134830649
2-amino-2-methylpent-3-yn-1-ol;hydrochloride
CID 87878432
2-methylpent-3-yn-2-yl 2-methylprop-2-enoate
CID 164803611
tert-butyl 3,3-dimethylhex-4-ynoate
CID 167634573
2-[ethyl(methoxy)phosphoryl]oxy-2-methylpent-3-ynoic acid
CID 88549503
(5-hydroxy-2,5-dimethylhex-3-yn-2-yl)oxymethylsulfonyl ethaneperoxoate
CID 142708137
carbanide;4,4-dimethylpent-2-yne;methane;methanone;bis(yttrium)
CID 158819909
2-methyl-2-prop-1-ynylpropanedioic acid
CID 71363098
3,3-dimethylhex-4-yn-2-one
CID 20642845
1-propoxybut-2-yne-1,1-diol
CID 141179071
ethyl 2-ethyl-2-methylpent-3-ynoate
CID 118907362
(5-diethoxyphosphorylcarbonyloxy-2,5-dimethylhex-3-yn-2-yl) diethoxyphosphorylformate
CID 122635962

Frequently Asked Questions

What is the IUPAC name of methane;2-methylpent-3-yn-2-yloxymethanol?
The IUPAC name of methane;2-methylpent-3-yn-2-yloxymethanol (CID 157063201) is methane;2-methylpent-3-yn-2-yloxymethanol.
What is the SMILES notation for methane;2-methylpent-3-yn-2-yloxymethanol?
The canonical SMILES for methane;2-methylpent-3-yn-2-yloxymethanol is C.C.C.CC#CC(C)(C)OCO.
What is the InChIKey of methane;2-methylpent-3-yn-2-yloxymethanol?
The InChIKey is ABOHHKXLITZDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.3CH4/c1-4-5-7(2,3)9-6-8;;;/h8H,6H2,1-3H3;3*1H4.
What are the key properties of methane;2-methylpent-3-yn-2-yloxymethanol?
methane;2-methylpent-3-yn-2-yloxymethanol has a molecular weight of 176.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylpent-3-yn-2-yloxymethanol is sourced from PubChem (CID 157063201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).