5-methoxy-2,3,3-trimethylpent-1-ene;propane

C12H26O — CID 142089843

IUPAC5-methoxy-2,3,3-trimethylpent-1-ene;propane
SMILESC=C(C)C(C)(C)CCOC.CCC
InChIInChI=1S/C9H18O.C3H8/c1-8(2)9(3,4)6-7-10-5;1-3-2/h1,6-7H2,2-5H3;3H2,1-2H3
InChIKeyNZLQJLVGBPIOBD-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.04
Rot. Bonds4

About 5-methoxy-2,3,3-trimethylpent-1-ene;propane

5-methoxy-2,3,3-trimethylpent-1-ene;propane (PubChem CID 142089843) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 5-methoxy-2,3,3-trimethylpent-1-ene;propane.

Molecular Properties

Compound Name5-methoxy-2,3,3-trimethylpent-1-ene;propane
PubChem CID142089843
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name5-methoxy-2,3,3-trimethylpent-1-ene;propane
SMILESC=C(C)C(C)(C)CCOC.CCC
InChIInChI=1S/C9H18O.C3H8/c1-8(2)9(3,4)6-7-10-5;1-3-2/h1,6-7H2,2-5H3;3H2,1-2H3
InChIKeyNZLQJLVGBPIOBD-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-2,3-dimethyl-5-propoxypent-1-ene
CID 149472519
3-Fluoro-5-methoxy-2,3-dimethylpent-1-ene
CID 163626851
5,5-Bis(methoxymethyl)-7-methylocta-1,2,7-triene
CID 135079904
2-(Fluoromethyl)-4-(methoxymethyl)-4-methylhex-1-ene
CID 144407134
3,3,4-Trimethylpent-4-en-1-ol
CID 10034790
3-Ethyl-3-prop-1-en-2-yloxetane
CID 22160801
5-Ethoxy-2-methylpent-1-ene
CID 54336059
3-Ethyl-3-(2-methylprop-2-enyl)oxetane
CID 89146557
2-Methyl-5-propoxypent-1-ene
CID 91171527
2,3,3,5-Tetramethyl-5-propoxyhex-1-ene
CID 123288527
4-Ethyl-4-methyl-3-methylidene-1-propoxyhexane
CID 123390908
5-Ethoxy-2,3,3,5-tetramethylhex-1-ene
CID 123748852

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3,3-trimethylpent-1-ene;propane?
The IUPAC name of 5-methoxy-2,3,3-trimethylpent-1-ene;propane (CID 142089843) is 5-methoxy-2,3,3-trimethylpent-1-ene;propane.
What is the SMILES notation for 5-methoxy-2,3,3-trimethylpent-1-ene;propane?
The canonical SMILES for 5-methoxy-2,3,3-trimethylpent-1-ene;propane is C=C(C)C(C)(C)CCOC.CCC.
What is the InChIKey of 5-methoxy-2,3,3-trimethylpent-1-ene;propane?
The InChIKey is NZLQJLVGBPIOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O.C3H8/c1-8(2)9(3,4)6-7-10-5;1-3-2/h1,6-7H2,2-5H3;3H2,1-2H3.
What are the key properties of 5-methoxy-2,3,3-trimethylpent-1-ene;propane?
5-methoxy-2,3,3-trimethylpent-1-ene;propane has a molecular weight of 186.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3,3-trimethylpent-1-ene;propane is sourced from PubChem (CID 142089843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).