4-(3-methylbut-2-en-2-yloxy)heptane

C12H24O — CID 123198538

IUPAC4-(3-methylbut-2-en-2-yloxy)heptane
SMILESCCCC(CCC)OC(C)=C(C)C
InChIInChI=1S/C12H24O/c1-6-8-12(9-7-2)13-11(5)10(3)4/h12H,6-9H2,1-5H3
InChIKeyNZTAQTPYJDCVHR-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.29
Rot. Bonds6

About 4-(3-methylbut-2-en-2-yloxy)heptane

4-(3-methylbut-2-en-2-yloxy)heptane (PubChem CID 123198538) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 4-(3-methylbut-2-en-2-yloxy)heptane.

Molecular Properties

Compound Name4-(3-methylbut-2-en-2-yloxy)heptane
PubChem CID123198538
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name4-(3-methylbut-2-en-2-yloxy)heptane
SMILESCCCC(CCC)OC(C)=C(C)C
InChIInChI=1S/C12H24O/c1-6-8-12(9-7-2)13-11(5)10(3)4/h12H,6-9H2,1-5H3
InChIKeyNZTAQTPYJDCVHR-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-Butoxy-3-methylbut-2-ene
CID 85783026
2-Butene, 2-methyl-3-(1-methylethoxy)-
CID 521741
Pentane, 3-[(1,2-dimethyl-1-propenyl)oxy]-
CID 521765
1-(3-Methylbut-2-en-2-yloxy)octane
CID 20647696
1-(3-Methylbut-2-en-2-yloxy)pentane
CID 58862763
3-Methylbut-2-en-2-yloxycyclohexane
CID 140500835
1-(3-Methylbut-2-en-2-yloxy)nonane
CID 151365859
1-(3-Methylbut-2-en-2-yloxy)heptane
CID 152495326
2-Butene,2-methyl-3-(1-methylpropoxy)-
CID 521764

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-2-en-2-yloxy)heptane?
The IUPAC name of 4-(3-methylbut-2-en-2-yloxy)heptane (CID 123198538) is 4-(3-methylbut-2-en-2-yloxy)heptane.
What is the SMILES notation for 4-(3-methylbut-2-en-2-yloxy)heptane?
The canonical SMILES for 4-(3-methylbut-2-en-2-yloxy)heptane is CCCC(CCC)OC(C)=C(C)C.
What is the InChIKey of 4-(3-methylbut-2-en-2-yloxy)heptane?
The InChIKey is NZTAQTPYJDCVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-6-8-12(9-7-2)13-11(5)10(3)4/h12H,6-9H2,1-5H3.
What are the key properties of 4-(3-methylbut-2-en-2-yloxy)heptane?
4-(3-methylbut-2-en-2-yloxy)heptane has a molecular weight of 184.32 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-2-en-2-yloxy)heptane is sourced from PubChem (CID 123198538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).