(2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate

C17H34O6 — CID 139436783

IUPAC(2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate
SMILESCC(C)OC(C)(C)C(C)(C)OC(=O)OCCOCCC(C)(C)O
InChIInChI=1S/C17H34O6/c1-13(2)22-16(5,6)17(7,8)23-14(18)21-12-11-20-10-9-15(3,4)19/h13,19H,9-12H2,1-8H3
InChIKeyKHRVFAYNZSIWMP-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.30
Rot. Bonds10

About (2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate

(2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate (PubChem CID 139436783) has the molecular formula C17H34O6 and a molecular weight of 334.45 g/mol. Its IUPAC name is (2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate.

Molecular Properties

Compound Name(2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate
PubChem CID139436783
Molecular FormulaC17H34O6
Molecular Weight334.45 g/mol
Exact Mass334.24
IUPAC Name(2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate
SMILESCC(C)OC(C)(C)C(C)(C)OC(=O)OCCOCCC(C)(C)O
InChIInChI=1S/C17H34O6/c1-13(2)22-16(5,6)17(7,8)23-14(18)21-12-11-20-10-9-15(3,4)19/h13,19H,9-12H2,1-8H3
InChIKeyKHRVFAYNZSIWMP-UHFFFAOYSA-N
XLogP3.30
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-O-[2-(3-hydroxy-3-methylbutoxy)ethyl] 2-O-propan-2-yl furan-2,5-dicarboxylate
CID 166151626
propan-2-yl 2-butoxycarbonyloxy-2-methylpropanoate
CID 156801074
2-(3,3-dimethylbutoxy)ethyl 2-(2-hydroxyacetyl)oxypropanoate
CID 176777367
4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol
CID 155214936
(2S)-3-(3-hydroxy-3-methylbutoxy)-2-(methylamino)propanoic acid
CID 142490853
(5-tert-butylperoxy-2,5-dimethylhexan-2-yl)oxy 2-[2-(5-tert-butylperoxy-2,5-dimethylhexan-2-yl)peroxycarbonyloxyethoxy]ethyl carbonate
CID 18913350
tert-butyl 2-(2-propoxyethoxy)propanoate
CID 66338102
2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol
CID 153090500
2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate
CID 139479553
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
CID 89246504
bis(3-hydroxy-3-methylbutyl) 2-propan-2-ylidenepropanedioate
CID 58322019
ethyl 4-[2-(2-methoxyethoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanoate
CID 104565270

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate?
The IUPAC name of (2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate (CID 139436783) is (2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate.
What is the SMILES notation for (2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate?
The canonical SMILES for (2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate is CC(C)OC(C)(C)C(C)(C)OC(=O)OCCOCCC(C)(C)O.
What is the InChIKey of (2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate?
The InChIKey is KHRVFAYNZSIWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O6/c1-13(2)22-16(5,6)17(7,8)23-14(18)21-12-11-20-10-9-15(3,4)19/h13,19H,9-12H2,1-8H3.
What are the key properties of (2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate?
(2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate has a molecular weight of 334.45 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate is sourced from PubChem (CID 139436783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).