(4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane

C12H24O2 — CID 143402008

IUPAC(4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane
SMILESC=C(C)[C@](CCC)(OC)C(CC)OC
InChIInChI=1S/C12H24O2/c1-7-9-12(14-6,10(3)4)11(8-2)13-5/h11H,3,7-9H2,1-2,4-6H3/t11?,12-/m0/s1
InChIKeyRGFNQXSWKXEUCL-KIYNQFGBSA-N
MW200.32 g/mol
LogP3.17
Rot. Bonds7

About (4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane

(4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane (PubChem CID 143402008) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane.

Molecular Properties

Compound Name(4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane
PubChem CID143402008
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane
SMILESC=C(C)[C@](CCC)(OC)C(CC)OC
InChIInChI=1S/C12H24O2/c1-7-9-12(14-6,10(3)4)11(8-2)13-5/h11H,3,7-9H2,1-2,4-6H3/t11?,12-/m0/s1
InChIKeyRGFNQXSWKXEUCL-KIYNQFGBSA-N
XLogP3.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane?
The IUPAC name of (4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane (CID 143402008) is (4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane.
What is the SMILES notation for (4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane?
The canonical SMILES for (4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane is C=C(C)[C@](CCC)(OC)C(CC)OC.
What is the InChIKey of (4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane?
The InChIKey is RGFNQXSWKXEUCL-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H24O2/c1-7-9-12(14-6,10(3)4)11(8-2)13-5/h11H,3,7-9H2,1-2,4-6H3/t11?,12-/m0/s1.
What are the key properties of (4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane?
(4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane has a molecular weight of 200.32 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,4-dimethoxy-4-prop-1-en-2-ylheptane is sourced from PubChem (CID 143402008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).