4-methoxy-4-propan-2-ylhepta-1,6-diene

C11H20O — CID 23385039

IUPAC4-methoxy-4-propan-2-ylhepta-1,6-diene
SMILESC=CCC(CC=C)(OC)C(C)C
InChIInChI=1S/C11H20O/c1-6-8-11(12-5,9-7-2)10(3)4/h6-7,10H,1-2,8-9H2,3-5H3
InChIKeyXXSLFKYXPLRRSR-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds6

About 4-methoxy-4-propan-2-ylhepta-1,6-diene

4-methoxy-4-propan-2-ylhepta-1,6-diene (PubChem CID 23385039) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-methoxy-4-propan-2-ylhepta-1,6-diene.

Molecular Properties

Compound Name4-methoxy-4-propan-2-ylhepta-1,6-diene
PubChem CID23385039
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-methoxy-4-propan-2-ylhepta-1,6-diene
SMILESC=CCC(CC=C)(OC)C(C)C
InChIInChI=1S/C11H20O/c1-6-8-11(12-5,9-7-2)10(3)4/h6-7,10H,1-2,8-9H2,3-5H3
InChIKeyXXSLFKYXPLRRSR-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.18
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

3,4-Dimethyl-5-hexen-3-ol
CID 552025
(3R)-2,3-dimethylhex-5-en-3-ol
CID 59910936
2,3-Dimethyl-5-hexen-3-ol
CID 140557
2,3,4-Trimethyl-5-hexen-3-ol
CID 141427
2-Methyl-3-isopropyl-hex-5-en-3-ol
CID 11321091
3-Ethyl-4-methyl-5-hexen-3-ol
CID 12431763
3,4,5-Trimethyl-1,6-heptadien-4-ol
CID 14026946
3-Ethyl-2,4-dimethylhex-5-en-3-ol
CID 86043742
4-Methoxy-4,5,5-trimethylhex-1-ene
CID 134995475
1,6-Heptadien-4-ol, 4-(1-methylethyl)-
CID 11159437
4-Methoxy-5-methylhex-1-ene
CID 11672669
5-Methoxy-5-methylhept-1-ene
CID 13707450

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-propan-2-ylhepta-1,6-diene?
The IUPAC name of 4-methoxy-4-propan-2-ylhepta-1,6-diene (CID 23385039) is 4-methoxy-4-propan-2-ylhepta-1,6-diene.
What is the SMILES notation for 4-methoxy-4-propan-2-ylhepta-1,6-diene?
The canonical SMILES for 4-methoxy-4-propan-2-ylhepta-1,6-diene is C=CCC(CC=C)(OC)C(C)C.
What is the InChIKey of 4-methoxy-4-propan-2-ylhepta-1,6-diene?
The InChIKey is XXSLFKYXPLRRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-8-11(12-5,9-7-2)10(3)4/h6-7,10H,1-2,8-9H2,3-5H3.
What are the key properties of 4-methoxy-4-propan-2-ylhepta-1,6-diene?
4-methoxy-4-propan-2-ylhepta-1,6-diene has a molecular weight of 168.28 g/mol, XLogP of 3.18, 6 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-ylhepta-1,6-diene is sourced from PubChem (CID 23385039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).