3,7-dimethyl-3-prop-2-enoxyoct-1-ene

C13H24O — CID 118936490

IUPAC3,7-dimethyl-3-prop-2-enoxyoct-1-ene
SMILESC=CCOC(C)(C=C)CCCC(C)C
InChIInChI=1S/C13H24O/c1-6-11-14-13(5,7-2)10-8-9-12(3)4/h6-7,12H,1-2,8-11H2,3-5H3
InChIKeyDONPJXZSMYBCFH-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.96
Rot. Bonds8

About 3,7-dimethyl-3-prop-2-enoxyoct-1-ene

3,7-dimethyl-3-prop-2-enoxyoct-1-ene (PubChem CID 118936490) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3,7-dimethyl-3-prop-2-enoxyoct-1-ene.

Molecular Properties

Compound Name3,7-dimethyl-3-prop-2-enoxyoct-1-ene
PubChem CID118936490
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3,7-dimethyl-3-prop-2-enoxyoct-1-ene
SMILESC=CCOC(C)(C=C)CCCC(C)C
InChIInChI=1S/C13H24O/c1-6-11-14-13(5,7-2)10-8-9-12(3)4/h6-7,12H,1-2,8-11H2,3-5H3
InChIKeyDONPJXZSMYBCFH-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3-prop-2-enoxyoct-1-ene?
The IUPAC name of 3,7-dimethyl-3-prop-2-enoxyoct-1-ene (CID 118936490) is 3,7-dimethyl-3-prop-2-enoxyoct-1-ene.
What is the SMILES notation for 3,7-dimethyl-3-prop-2-enoxyoct-1-ene?
The canonical SMILES for 3,7-dimethyl-3-prop-2-enoxyoct-1-ene is C=CCOC(C)(C=C)CCCC(C)C.
What is the InChIKey of 3,7-dimethyl-3-prop-2-enoxyoct-1-ene?
The InChIKey is DONPJXZSMYBCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-6-11-14-13(5,7-2)10-8-9-12(3)4/h6-7,12H,1-2,8-11H2,3-5H3.
What are the key properties of 3,7-dimethyl-3-prop-2-enoxyoct-1-ene?
3,7-dimethyl-3-prop-2-enoxyoct-1-ene has a molecular weight of 196.33 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3-prop-2-enoxyoct-1-ene is sourced from PubChem (CID 118936490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).