6-methyl-5-methylidenehept-1-yne

C9H14 — CID 123228391

IUPAC6-methyl-5-methylidenehept-1-yne
SMILESC#CCCC(=C)C(C)C
InChIInChI=1S/C9H14/c1-5-6-7-9(4)8(2)3/h1,8H,4,6-7H2,2-3H3
InChIKeyKPLDPNVPMZJCNK-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds3

About 6-methyl-5-methylidenehept-1-yne

6-methyl-5-methylidenehept-1-yne (PubChem CID 123228391) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 6-methyl-5-methylidenehept-1-yne.

Molecular Properties

Compound Name6-methyl-5-methylidenehept-1-yne
PubChem CID123228391
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name6-methyl-5-methylidenehept-1-yne
SMILESC#CCCC(=C)C(C)C
InChIInChI=1S/C9H14/c1-5-6-7-9(4)8(2)3/h1,8H,4,6-7H2,2-3H3
InChIKeyKPLDPNVPMZJCNK-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Methylhept-1-en-6-yne
CID 10396805
3-Methylideneoct-1-yne
CID 12939487
(3S)-3-methylhept-1-en-6-yne
CID 58067890
5-Methyl-3-methylidenehex-1-yne
CID 22638461
4-Ethynyl-2-methylhept-1-ene
CID 71403483
2-Methyloct-1-en-7-yne
CID 134975076
2,8-Dimethyl-6-methylidenenon-4-yne
CID 134980913
1-Methylidene-2-nona-3,8-diynylcyclopropane
CID 11378772
(5S)-5-methyl-3-methylidenehept-1-yne
CID 15744328
4-Ethynyl-5-methylideneocta-1,7-diyne
CID 53381528
6-Methyloct-1-en-7-yne
CID 10374479
3-Methylidenehept-1-yne
CID 12389635

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-methylidenehept-1-yne?
The IUPAC name of 6-methyl-5-methylidenehept-1-yne (CID 123228391) is 6-methyl-5-methylidenehept-1-yne.
What is the SMILES notation for 6-methyl-5-methylidenehept-1-yne?
The canonical SMILES for 6-methyl-5-methylidenehept-1-yne is C#CCCC(=C)C(C)C.
What is the InChIKey of 6-methyl-5-methylidenehept-1-yne?
The InChIKey is KPLDPNVPMZJCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-5-6-7-9(4)8(2)3/h1,8H,4,6-7H2,2-3H3.
What are the key properties of 6-methyl-5-methylidenehept-1-yne?
6-methyl-5-methylidenehept-1-yne has a molecular weight of 122.21 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-methylidenehept-1-yne is sourced from PubChem (CID 123228391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).