5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene

C14H24O — CID 123501813

IUPAC5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene
SMILESC=CCCC(C)(CC)OC(=C)C(=C)CC
InChIInChI=1S/C14H24O/c1-7-10-11-14(6,9-3)15-13(5)12(4)8-2/h7H,1,4-5,8-11H2,2-3,6H3
InChIKeyMEYRBZLXXLVSJO-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.62
Rot. Bonds8

About 5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene

5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene (PubChem CID 123501813) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene.

Molecular Properties

Compound Name5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene
PubChem CID123501813
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene
SMILESC=CCCC(C)(CC)OC(=C)C(=C)CC
InChIInChI=1S/C14H24O/c1-7-10-11-14(6,9-3)15-13(5)12(4)8-2/h7H,1,4-5,8-11H2,2-3,6H3
InChIKeyMEYRBZLXXLVSJO-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-methylpentan-3-yl 2-methylidenebutanoate
CID 156770759
5-ethyl-5-methoxy-6-methylhept-1-ene
CID 23385160
5-methyl-6,7-dimethylidenenon-1-ene
CID 142109737
diethyl 2-but-3-enyl-2-propan-2-ylpropanedioate
CID 113360268
3-methylhexan-3-yl prop-2-enoate
CID 87498844
5-methoxy-5,6-dimethylhept-1-ene
CID 23385174
(4S)-4-propan-2-yloct-7-en-4-ol
CID 59911272
2-but-3-enyl-2-ethylhex-5-en-1-ol
CID 159922926
3-methylnon-6-en-3-yl acetate
CID 131887994
trimethyl(4-methylocta-1,7-dien-4-yloxy)silane
CID 21322046
ethyl 2,2-dimethylhex-5-enoate
CID 14906730
3-ethyltridec-12-en-3-yl acetate
CID 15415275

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene?
The IUPAC name of 5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene (CID 123501813) is 5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene.
What is the SMILES notation for 5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene?
The canonical SMILES for 5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene is C=CCCC(C)(CC)OC(=C)C(=C)CC.
What is the InChIKey of 5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene?
The InChIKey is MEYRBZLXXLVSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-7-10-11-14(6,9-3)15-13(5)12(4)8-2/h7H,1,4-5,8-11H2,2-3,6H3.
What are the key properties of 5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene?
5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene has a molecular weight of 208.34 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(3-methylidenepent-1-en-2-yloxy)hept-1-ene is sourced from PubChem (CID 123501813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).