2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne

C14H22O — CID 102356227

IUPAC2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne
SMILESCC(C)=CCCC#CCOCC=C(C)C
InChIInChI=1S/C14H22O/c1-13(2)9-7-5-6-8-11-15-12-10-14(3)4/h9-10H,5,7,11-12H2,1-4H3
InChIKeyIKLWQWBXLGSALN-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.72
Rot. Bonds5

About 2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne

2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne (PubChem CID 102356227) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne.

Molecular Properties

Compound Name2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne
PubChem CID102356227
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne
SMILESCC(C)=CCCC#CCOCC=C(C)C
InChIInChI=1S/C14H22O/c1-13(2)9-7-5-6-8-11-15-12-10-14(3)4/h9-10H,5,7,11-12H2,1-4H3
InChIKeyIKLWQWBXLGSALN-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

8-bromo-2-methyloct-2-en-6-yne
CID 11745679
(6E)-7,11-dimethyldodeca-6,10-dien-2-yn-1-ol
CID 11830599
1-bromo-5-(3-methylbut-2-enoxy)pent-2-yne
CID 164887675
(2Z)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
CID 102264216
8-methylnon-7-en-2-yn-1-ol
CID 130127240
3-methyl-1-prop-2-enoxybut-2-ene
CID 11366991
(9E)-10,14-dimethylpentadeca-9,13-dien-5-yn-2-one
CID 10060501
3-(3-methylbut-2-enoxy)propanal
CID 14431844
1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010
3,3-dimethyl-4-(3-methylbut-2-enoxy)but-1-ene
CID 11715235
1-but-2-enoxy-3-methylbut-2-ene
CID 71324581
1-[(Z)-4-chlorobut-2-enoxy]hept-2-yne
CID 11252648

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne?
The IUPAC name of 2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne (CID 102356227) is 2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne.
What is the SMILES notation for 2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne?
The canonical SMILES for 2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne is CC(C)=CCCC#CCOCC=C(C)C.
What is the InChIKey of 2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne?
The InChIKey is IKLWQWBXLGSALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-13(2)9-7-5-6-8-11-15-12-10-14(3)4/h9-10H,5,7,11-12H2,1-4H3.
What are the key properties of 2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne?
2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne has a molecular weight of 206.33 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(3-methylbut-2-enoxy)oct-2-en-6-yne is sourced from PubChem (CID 102356227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).