1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol

C11H18O2 — CID 14271068

IUPAC1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol
SMILESC=CCC(C)(C)C(O)C#CCOC
InChIInChI=1S/C11H18O2/c1-5-8-11(2,3)10(12)7-6-9-13-4/h5,10,12H,1,8-9H2,2-4H3
InChIKeyBNCZOVLHAIGRRG-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.60
Rot. Bonds4

About 1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol

1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol (PubChem CID 14271068) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol.

Molecular Properties

Compound Name1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol
PubChem CID14271068
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol
SMILESC=CCC(C)(C)C(O)C#CCOC
InChIInChI=1S/C11H18O2/c1-5-8-11(2,3)10(12)7-6-9-13-4/h5,10,12H,1,8-9H2,2-4H3
InChIKeyBNCZOVLHAIGRRG-UHFFFAOYSA-N
XLogP1.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1,1,1-Trifluoro-5,5-dimethyloct-7-en-2-yn-4-ol
CID 135023914
1-Fluoro-7,7-dimethylundec-10-en-4-yn-3-ol
CID 141012200
5-Methoxynon-8-en-3-yn-1-ol
CID 71418969
6-Methoxydec-9-en-4-yn-1-ol
CID 71418972
4-Hydroxy-5,5-dimethyloct-7-en-2-ynoic acid
CID 129927402
6,6,9-Trimethyldeca-1,8-dien-3-yn-5-ol
CID 154707186
(2S)-3,3-dimethylhex-5-en-2-ol
CID 102526529
3-Ethenyl-3-ethylhex-5-en-2-ol
CID 20501711
3-Allyl-3-methyl-pent-4-en-2-ol
CID 20501782
1-Ethoxy-3,5,5-trimethylhept-6-en-1-yn-3-ol
CID 21491702
2-Ethyl-2-prop-2-enylbutane-1,3-diol
CID 57039603
2,2-Bis(prop-2-enyl)butane-1,3-diol
CID 57127145

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol?
The IUPAC name of 1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol (CID 14271068) is 1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol.
What is the SMILES notation for 1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol?
The canonical SMILES for 1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol is C=CCC(C)(C)C(O)C#CCOC.
What is the InChIKey of 1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol?
The InChIKey is BNCZOVLHAIGRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-8-11(2,3)10(12)7-6-9-13-4/h5,10,12H,1,8-9H2,2-4H3.
What are the key properties of 1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol?
1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol has a molecular weight of 182.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5,5-dimethyloct-7-en-2-yn-4-ol is sourced from PubChem (CID 14271068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).