7-ethoxy-3-methylhept-1-yne

C10H18O — CID 91807315

IUPAC7-ethoxy-3-methylhept-1-yne
SMILESC#CC(C)CCCCOCC
InChIInChI=1S/C10H18O/c1-4-10(3)8-6-7-9-11-5-2/h1,10H,5-9H2,2-3H3
InChIKeyNLCXLFNHIUXNOL-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.46
Rot. Bonds6

About 7-ethoxy-3-methylhept-1-yne

7-ethoxy-3-methylhept-1-yne (PubChem CID 91807315) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 7-ethoxy-3-methylhept-1-yne.

Molecular Properties

Compound Name7-ethoxy-3-methylhept-1-yne
PubChem CID91807315
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name7-ethoxy-3-methylhept-1-yne
SMILESC#CC(C)CCCCOCC
InChIInChI=1S/C10H18O/c1-4-10(3)8-6-7-9-11-5-2/h1,10H,5-9H2,2-3H3
InChIKeyNLCXLFNHIUXNOL-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-methyloct-1-yne
CID 59216928
4-(2-ethoxyethoxy)-3-methylbut-1-yne
CID 140970677
1-ethoxy-17-methyloctadecane
CID 91042875
5-chloro-1-ethoxyhexane
CID 64515389
(1-chloro-5-ethoxypentyl)benzene
CID 64506670
5-(3-ethoxypropoxy)hex-1-yne
CID 21485698
6-ethoxy-2-methylhexanoic acid
CID 21074373
5-chloro-1-ethoxy-6,6-dimethylheptane
CID 64508450
3-methyl-6-methylsulfanylhex-1-yne
CID 87187634
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
3,7,11,15-tetramethylhexadec-1-yne
CID 90737632
14-ethoxytetradecane-1,3-diol
CID 57222760

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-methylhept-1-yne?
The IUPAC name of 7-ethoxy-3-methylhept-1-yne (CID 91807315) is 7-ethoxy-3-methylhept-1-yne.
What is the SMILES notation for 7-ethoxy-3-methylhept-1-yne?
The canonical SMILES for 7-ethoxy-3-methylhept-1-yne is C#CC(C)CCCCOCC.
What is the InChIKey of 7-ethoxy-3-methylhept-1-yne?
The InChIKey is NLCXLFNHIUXNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-10(3)8-6-7-9-11-5-2/h1,10H,5-9H2,2-3H3.
What are the key properties of 7-ethoxy-3-methylhept-1-yne?
7-ethoxy-3-methylhept-1-yne has a molecular weight of 154.25 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-methylhept-1-yne is sourced from PubChem (CID 91807315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).