4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene

C13H26O — CID 23385033

IUPAC4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene
SMILESC=CCC(OC)(C(C)C)C(C)(C)CC
InChIInChI=1S/C13H26O/c1-8-10-13(14-7,11(3)4)12(5,6)9-2/h8,11H,1,9-10H2,2-7H3
InChIKeyFZMNNGDKZHUKTK-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.04
Rot. Bonds6

About 4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene

4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene (PubChem CID 23385033) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene.

Molecular Properties

Compound Name4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene
PubChem CID23385033
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene
SMILESC=CCC(OC)(C(C)C)C(C)(C)CC
InChIInChI=1S/C13H26O/c1-8-10-13(14-7,11(3)4)12(5,6)9-2/h8,11H,1,9-10H2,2-7H3
InChIKeyFZMNNGDKZHUKTK-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
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

(r,s)-2-Allyl-2-t-butyl-oxirane
CID 15933472
5-Ethynyl-5-methoxy-3,3-dimethyl-1,7-octadiene
CID 11217759
4-Methoxy-2,4,5,5-tetramethylhex-1-ene
CID 134930792
3-Ethenyl-2,5,5-trimethylhexan-2-ol
CID 134993406
4-Methoxy-4,5,5-trimethylhex-1-ene
CID 134995475
3,3,6-Trimethyl-4-propan-2-ylhept-1-en-4-ol
CID 170848492
3-Tert-butyl-4-ethyl-2,2-dimethylhex-5-en-3-ol
CID 100956232
5-Methoxy-5-methylhept-1-ene
CID 13707450
4-Ethoxy-4,5-bis(prop-2-enyl)octa-1,7-diene
CID 20553350
4-Ethyl-4-methoxy-5-methylhex-1-ene
CID 23385014
4-Methoxy-5,5-dimethyl-4-propan-2-ylhex-1-ene
CID 23385034
4-Methoxy-5-methyl-4-propan-2-ylhex-1-ene
CID 23385035

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene?
The IUPAC name of 4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene (CID 23385033) is 4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene.
What is the SMILES notation for 4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene?
The canonical SMILES for 4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene is C=CCC(OC)(C(C)C)C(C)(C)CC.
What is the InChIKey of 4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene?
The InChIKey is FZMNNGDKZHUKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-8-10-13(14-7,11(3)4)12(5,6)9-2/h8,11H,1,9-10H2,2-7H3.
What are the key properties of 4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene?
4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene has a molecular weight of 198.35 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene is sourced from PubChem (CID 23385033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).