2,3-dimethyl-3-pent-4-enoxybutan-2-ol

C11H22O2 — CID 175216620

IUPAC2,3-dimethyl-3-pent-4-enoxybutan-2-ol
SMILESC=CCCCOC(C)(C)C(C)(C)O
InChIInChI=1S/C11H22O2/c1-6-7-8-9-13-11(4,5)10(2,3)12/h6,12H,1,7-9H2,2-5H3
InChIKeyCNYZOKSQWQKBOB-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.52
Rot. Bonds6

About 2,3-dimethyl-3-pent-4-enoxybutan-2-ol

2,3-dimethyl-3-pent-4-enoxybutan-2-ol (PubChem CID 175216620) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2,3-dimethyl-3-pent-4-enoxybutan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-pent-4-enoxybutan-2-ol
PubChem CID175216620
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2,3-dimethyl-3-pent-4-enoxybutan-2-ol
SMILESC=CCCCOC(C)(C)C(C)(C)O
InChIInChI=1S/C11H22O2/c1-6-7-8-9-13-11(4,5)10(2,3)12/h6,12H,1,7-9H2,2-5H3
InChIKeyCNYZOKSQWQKBOB-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-pent-4-enoxybut-3-en-1-ol
CID 20697432
2,3,3-trimethyltetradec-13-en-2-ol
CID 15425796
4-[2-methyl-4-(2-methylhept-6-en-2-yloxy)butan-2-yl]oxybutanal
CID 146246879
pent-4-enyl 2-iodo-2-methylpropanoate
CID 11129735
tris(hex-5-enoxy)methylsilane
CID 123357910
methyl 2-hydroxy-2-methyl-3-pent-4-enoxypropanoate
CID 79113910
2,2-dimethyl-5-pent-4-enoxypentanoic acid
CID 79114949
2-methyl-1-pent-4-enoxypropane-2-sulfonic acid
CID 150096094
tert-butyl 2-pent-4-enoxyacetate
CID 15072345
2-(7-hydroxy-7-methyl-6-oxononoxy)-2-methyltridec-12-en-3-one
CID 170205344
5-(pent-4-enoxymethoxy)pent-1-ene
CID 102227605
ethyl (3E)-2,2-dihydroxytetracosa-3,23-dienoate
CID 71777473

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-pent-4-enoxybutan-2-ol?
The IUPAC name of 2,3-dimethyl-3-pent-4-enoxybutan-2-ol (CID 175216620) is 2,3-dimethyl-3-pent-4-enoxybutan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-pent-4-enoxybutan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-pent-4-enoxybutan-2-ol is C=CCCCOC(C)(C)C(C)(C)O.
What is the InChIKey of 2,3-dimethyl-3-pent-4-enoxybutan-2-ol?
The InChIKey is CNYZOKSQWQKBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-7-8-9-13-11(4,5)10(2,3)12/h6,12H,1,7-9H2,2-5H3.
What are the key properties of 2,3-dimethyl-3-pent-4-enoxybutan-2-ol?
2,3-dimethyl-3-pent-4-enoxybutan-2-ol has a molecular weight of 186.29 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-pent-4-enoxybutan-2-ol is sourced from PubChem (CID 175216620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).