7-methyl-3-methylideneoct-1-en-5-yn-4-ol

C10H14O — CID 11788383

IUPAC7-methyl-3-methylideneoct-1-en-5-yn-4-ol
SMILESC=CC(=C)C(O)C#CC(C)C
InChIInChI=1S/C10H14O/c1-5-9(4)10(11)7-6-8(2)3/h5,8,10-11H,1,4H2,2-3H3
InChIKeyAQCYEWRBIGRPIM-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.75
Rot. Bonds2

About 7-methyl-3-methylideneoct-1-en-5-yn-4-ol

7-methyl-3-methylideneoct-1-en-5-yn-4-ol (PubChem CID 11788383) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 7-methyl-3-methylideneoct-1-en-5-yn-4-ol.

Molecular Properties

Compound Name7-methyl-3-methylideneoct-1-en-5-yn-4-ol
PubChem CID11788383
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name7-methyl-3-methylideneoct-1-en-5-yn-4-ol
SMILESC=CC(=C)C(O)C#CC(C)C
InChIInChI=1S/C10H14O/c1-5-9(4)10(11)7-6-8(2)3/h5,8,10-11H,1,4H2,2-3H3
InChIKeyAQCYEWRBIGRPIM-UHFFFAOYSA-N
XLogP1.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-4-methylidenehex-5-en-3-ol
CID 3801379
4-Penten-2-ol, 3-methylene-
CID 11075477
(3S,4S)-3-methylhept-1-en-5-yn-4-ol
CID 10510853
(3R,4R)-3-methylhept-1-en-5-yn-4-ol
CID 13296357
7-Methylocta-5,6-dien-1-yn-4-ol
CID 134884706
3,7-Dimethylocta-5,6-dien-1-yn-4-ol
CID 134897926
(2R)-3-methylidenepent-4-en-2-ol
CID 12301038
Hept-1-en-5-yn-3-ol
CID 12535702
4-Methylidenehexa-1,5-dien-3-OL
CID 13507128
Undec-1-en-5,8-diyn-3-ol
CID 13845738
4-Methylidenehex-5-en-3-ol
CID 14942951
6-Methyl-1,6-heptadien-4-yn-3-ol
CID 20144474

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-methylideneoct-1-en-5-yn-4-ol?
The IUPAC name of 7-methyl-3-methylideneoct-1-en-5-yn-4-ol (CID 11788383) is 7-methyl-3-methylideneoct-1-en-5-yn-4-ol.
What is the SMILES notation for 7-methyl-3-methylideneoct-1-en-5-yn-4-ol?
The canonical SMILES for 7-methyl-3-methylideneoct-1-en-5-yn-4-ol is C=CC(=C)C(O)C#CC(C)C.
What is the InChIKey of 7-methyl-3-methylideneoct-1-en-5-yn-4-ol?
The InChIKey is AQCYEWRBIGRPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-5-9(4)10(11)7-6-8(2)3/h5,8,10-11H,1,4H2,2-3H3.
What are the key properties of 7-methyl-3-methylideneoct-1-en-5-yn-4-ol?
7-methyl-3-methylideneoct-1-en-5-yn-4-ol has a molecular weight of 150.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylideneoct-1-en-5-yn-4-ol is sourced from PubChem (CID 11788383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).