methane;methoxymethyl propan-2-yl carbonate

C7H16O4 — CID 158647197

IUPACmethane;methoxymethyl propan-2-yl carbonate
SMILESC.COCOC(=O)OC(C)C
InChIInChI=1S/C6H12O4.CH4/c1-5(2)10-6(7)9-4-8-3;/h5H,4H2,1-3H3;1H4
InChIKeyIBCNGUGSNYLKCI-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.79
Rot. Bonds3

About methane;methoxymethyl propan-2-yl carbonate

methane;methoxymethyl propan-2-yl carbonate (PubChem CID 158647197) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is methane;methoxymethyl propan-2-yl carbonate.

Molecular Properties

Compound Namemethane;methoxymethyl propan-2-yl carbonate
PubChem CID158647197
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Namemethane;methoxymethyl propan-2-yl carbonate
SMILESC.COCOC(=O)OC(C)C
InChIInChI=1S/C6H12O4.CH4/c1-5(2)10-6(7)9-4-8-3;/h5H,4H2,1-3H3;1H4
InChIKeyIBCNGUGSNYLKCI-UHFFFAOYSA-N
XLogP1.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-aminopropyl methoxymethyl carbonate
CID 90464297
pentan-3-yloxymethyl propan-2-yl carbonate
CID 89141057
methoxymethyl (2S)-2-(methoxymethoxy)propanoate
CID 71444990
propan-2-yloxycarbonyloxymethyl 2-amino-2-methylpropanoate;hydrochloride
CID 130300907
2-bromoethyl propan-2-yl carbonate
CID 103970527
propan-2-yl (propan-2-ylamino)methyl carbonate
CID 59502371
(E)-but-2-enedioic acid;oxo-bis(propan-2-yloxycarbonyloxymethoxy)phosphanium
CID 162304663
[ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate
CID 129169212
propan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate
CID 130323906
propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate
CID 90011533
(1-hydroxycyclopropyl)methyl propan-2-yl carbonate
CID 141497433
di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate
CID 12810488

Frequently Asked Questions

What is the IUPAC name of methane;methoxymethyl propan-2-yl carbonate?
The IUPAC name of methane;methoxymethyl propan-2-yl carbonate (CID 158647197) is methane;methoxymethyl propan-2-yl carbonate.
What is the SMILES notation for methane;methoxymethyl propan-2-yl carbonate?
The canonical SMILES for methane;methoxymethyl propan-2-yl carbonate is C.COCOC(=O)OC(C)C.
What is the InChIKey of methane;methoxymethyl propan-2-yl carbonate?
The InChIKey is IBCNGUGSNYLKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4.CH4/c1-5(2)10-6(7)9-4-8-3;/h5H,4H2,1-3H3;1H4.
What are the key properties of methane;methoxymethyl propan-2-yl carbonate?
methane;methoxymethyl propan-2-yl carbonate has a molecular weight of 164.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methoxymethyl propan-2-yl carbonate is sourced from PubChem (CID 158647197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).