4-methoxy-4-propan-2-ylocta-1,7-diene

C12H22O — CID 23385043

IUPAC4-methoxy-4-propan-2-ylocta-1,7-diene
SMILESC=CCCC(CC=C)(OC)C(C)C
InChIInChI=1S/C12H22O/c1-6-8-10-12(13-5,9-7-2)11(3)4/h6-7,11H,1-2,8-10H2,3-5H3
InChIKeySMJSBYZEGKAUNG-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.57
Rot. Bonds7

About 4-methoxy-4-propan-2-ylocta-1,7-diene

4-methoxy-4-propan-2-ylocta-1,7-diene (PubChem CID 23385043) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-methoxy-4-propan-2-ylocta-1,7-diene.

Molecular Properties

Compound Name4-methoxy-4-propan-2-ylocta-1,7-diene
PubChem CID23385043
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4-methoxy-4-propan-2-ylocta-1,7-diene
SMILESC=CCCC(CC=C)(OC)C(C)C
InChIInChI=1S/C12H22O/c1-6-8-10-12(13-5,9-7-2)11(3)4/h6-7,11H,1-2,8-10H2,3-5H3
InChIKeySMJSBYZEGKAUNG-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.57
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

5-ethyl-5-methoxy-6-methylhept-1-ene
CID 23385160
5-methoxy-5,6-dimethylhept-1-ene
CID 23385174
4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride
CID 174848578
3-ethyl-3-methoxy-2-methylpentane
CID 23384914
4-methoxy-4-prop-2-enylhepta-1,6-diene
CID 164754119
(4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene
CID 59039373
hex-5-en-2-yl-methyl-methylideneazanium
CID 123858998
(4S)-4-propan-2-yloct-7-en-4-ol
CID 59911272
4-ethenyl-4-propan-2-ylhepta-1,6-diene
CID 23385053
trimethyl(4-methylocta-1,7-dien-4-yloxy)silane
CID 21322046
(2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol
CID 59910944
diethyl 2-but-3-enyl-2-propan-2-ylpropanedioate
CID 113360268

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-propan-2-ylocta-1,7-diene?
The IUPAC name of 4-methoxy-4-propan-2-ylocta-1,7-diene (CID 23385043) is 4-methoxy-4-propan-2-ylocta-1,7-diene.
What is the SMILES notation for 4-methoxy-4-propan-2-ylocta-1,7-diene?
The canonical SMILES for 4-methoxy-4-propan-2-ylocta-1,7-diene is C=CCCC(CC=C)(OC)C(C)C.
What is the InChIKey of 4-methoxy-4-propan-2-ylocta-1,7-diene?
The InChIKey is SMJSBYZEGKAUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-6-8-10-12(13-5,9-7-2)11(3)4/h6-7,11H,1-2,8-10H2,3-5H3.
What are the key properties of 4-methoxy-4-propan-2-ylocta-1,7-diene?
4-methoxy-4-propan-2-ylocta-1,7-diene has a molecular weight of 182.31 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-propan-2-ylocta-1,7-diene is sourced from PubChem (CID 23385043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).