2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene

C18H30O — CID 140841138

IUPAC2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene
SMILESC=CC(C)(C)CC(=C)COCC(=C)CC(C)(C)C=C
InChIInChI=1S/C18H30O/c1-9-17(5,6)11-15(3)13-19-14-16(4)12-18(7,8)10-2/h9-10H,1-4,11-14H2,5-8H3
InChIKeyAQEABCNAEVVSLI-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.32
Rot. Bonds10

About 2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene

2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene (PubChem CID 140841138) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene.

Molecular Properties

Compound Name2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene
PubChem CID140841138
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene
SMILESC=CC(C)(C)CC(=C)COCC(=C)CC(C)(C)C=C
InChIInChI=1S/C18H30O/c1-9-17(5,6)11-15(3)13-19-14-16(4)12-18(7,8)10-2/h9-10H,1-4,11-14H2,5-8H3
InChIKeyAQEABCNAEVVSLI-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.32
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 2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene?
The IUPAC name of 2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene (CID 140841138) is 2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene.
What is the SMILES notation for 2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene?
The canonical SMILES for 2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene is C=CC(C)(C)CC(=C)COCC(=C)CC(C)(C)C=C.
What is the InChIKey of 2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene?
The InChIKey is AQEABCNAEVVSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-9-17(5,6)11-15(3)13-19-14-16(4)12-18(7,8)10-2/h9-10H,1-4,11-14H2,5-8H3.
What are the key properties of 2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene?
2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene has a molecular weight of 262.44 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethyl-2-methylidenehex-5-enoxy)methyl]-4,4-dimethylhexa-1,5-diene is sourced from PubChem (CID 140841138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).