6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol

C10H18O3 — CID 123220880

IUPAC6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol
SMILESCCOC(C#CC(O)C(C)C)OC
InChIInChI=1S/C10H18O3/c1-5-13-10(12-4)7-6-9(11)8(2)3/h8-11H,5H2,1-4H3
InChIKeyFSMGYPGHZJLWBL-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.02
Rot. Bonds4

About 6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol

6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol (PubChem CID 123220880) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol.

Molecular Properties

Compound Name6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol
PubChem CID123220880
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol
SMILESCCOC(C#CC(O)C(C)C)OC
InChIInChI=1S/C10H18O3/c1-5-13-10(12-4)7-6-9(11)8(2)3/h8-11H,5H2,1-4H3
InChIKeyFSMGYPGHZJLWBL-UHFFFAOYSA-N
XLogP1.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,6-diethoxy-2-methylhex-4-yn-3-ol;6,6-diethoxy-2-methylhex-4-yn-3-one
CID 161333237
(E,4S)-1,1-diethoxy-7-methyloct-5-en-2-yn-4-ol
CID 101388649
(3S)-4-methoxy-5-methylhexan-3-ol
CID 59039386
(3R,4R)-4-ethoxy-5-methylhexan-3-ol
CID 59039577
CID 159597367
CID 159597367
(1R)-4,4-diethoxy-1-phenylbut-2-yn-1-ol
CID 95737739
2-ethoxy-4-methylpentan-3-ol
CID 64541763
2,2-diethoxy-1-methoxyethanol
CID 123958282
methyl 9,9-diethoxy-6-hydroxynon-7-ynoate
CID 135388271
2-(1-ethoxyethoxy)-1-methoxyethanol
CID 87072895
6,6-diethoxyhex-4-yn-3-one
CID 86671264
1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
CID 175467857

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol?
The IUPAC name of 6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol (CID 123220880) is 6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol.
What is the SMILES notation for 6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol?
The canonical SMILES for 6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol is CCOC(C#CC(O)C(C)C)OC.
What is the InChIKey of 6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol?
The InChIKey is FSMGYPGHZJLWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-13-10(12-4)7-6-9(11)8(2)3/h8-11H,5H2,1-4H3.
What are the key properties of 6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol?
6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol has a molecular weight of 186.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-6-methoxy-2-methylhex-4-yn-3-ol is sourced from PubChem (CID 123220880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).