7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol

C19H32O3 — CID 101135214

IUPAC7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol
SMILESCCCCC#CC(O)(C#CCCCC)[C@H](C)OC(C)OCC
InChIInChI=1S/C19H32O3/c1-6-9-11-13-15-19(20,16-14-12-10-7-2)17(4)22-18(5)21-8-3/h17-18,20H,6-12H2,1-5H3/t17-,18?/m0/s1
InChIKeySRXIACRUMKMJTM-ZENAZSQFSA-N
MW308.46 g/mol
LogP3.89
Rot. Bonds9

About 7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol

7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol (PubChem CID 101135214) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is 7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol.

Molecular Properties

Compound Name7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol
PubChem CID101135214
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol
SMILESCCCCC#CC(O)(C#CCCCC)[C@H](C)OC(C)OCC
InChIInChI=1S/C19H32O3/c1-6-9-11-13-15-19(20,16-14-12-10-7-2)17(4)22-18(5)21-8-3/h17-18,20H,6-12H2,1-5H3/t17-,18?/m0/s1
InChIKeySRXIACRUMKMJTM-ZENAZSQFSA-N
XLogP3.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
3-methylnon-4-yn-3-ol
CID 71352867
1-(1-ethoxyethoxy)-2-ethylhexan-1-ol
CID 18690221
diethyl 2-(2-methyloct-3-yn-2-yl)propanedioate
CID 14382178
(E)-1,1-diethoxynon-2-en-4-yne
CID 11127544
1-amino-2,3-dimethylnon-4-yne-2,3-diol
CID 141319209
3-[1-(carboxymethoxy)ethyl]-3-hydroxynonadec-4-ynoic acid
CID 21492404
1,1-diethoxyethane
CID 7765
1-(1-ethoxyethoxy)propylsilane
CID 175194078
2-chloro-2-methyloct-3-yne
CID 10855756
(2S)-2-[(1R)-1-ethoxyethoxy]propan-1-ol
CID 101001545
3-methoxy-3-methylnon-4-yne
CID 101213955

Frequently Asked Questions

What is the IUPAC name of 7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol?
The IUPAC name of 7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol (CID 101135214) is 7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol.
What is the SMILES notation for 7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol?
The canonical SMILES for 7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol is CCCCC#CC(O)(C#CCCCC)[C@H](C)OC(C)OCC.
What is the InChIKey of 7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol?
The InChIKey is SRXIACRUMKMJTM-ZENAZSQFSA-N. The full InChI is InChI=1S/C19H32O3/c1-6-9-11-13-15-19(20,16-14-12-10-7-2)17(4)22-18(5)21-8-3/h17-18,20H,6-12H2,1-5H3/t17-,18?/m0/s1.
What are the key properties of 7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol?
7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol has a molecular weight of 308.46 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S)-1-(1-ethoxyethoxy)ethyl]trideca-5,8-diyn-7-ol is sourced from PubChem (CID 101135214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).