2-methyl-4-pent-4-en-2-yloxybutan-2-ol

C10H20O2 — CID 534863

IUPAC2-methyl-4-pent-4-en-2-yloxybutan-2-ol
SMILESC=CCC(C)OCCC(C)(C)O
InChIInChI=1S/C10H20O2/c1-5-6-9(2)12-8-7-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3
InChIKeyVYMWRMKJIBAQIM-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.13
Rot. Bonds6

About 2-methyl-4-pent-4-en-2-yloxybutan-2-ol

2-methyl-4-pent-4-en-2-yloxybutan-2-ol (PubChem CID 534863) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-4-pent-4-en-2-yloxybutan-2-ol.

Molecular Properties

Compound Name2-methyl-4-pent-4-en-2-yloxybutan-2-ol
PubChem CID534863
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-methyl-4-pent-4-en-2-yloxybutan-2-ol
SMILESC=CCC(C)OCCC(C)(C)O
InChIInChI=1S/C10H20O2/c1-5-6-9(2)12-8-7-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3
InChIKeyVYMWRMKJIBAQIM-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,7-Trimethyl-4-oxa-7-octen-1-ol
CID 549472
3,3,7,7,11-Pentamethyl-4,8-dioxa-11-dodecen-1-ol
CID 549672
6-Methoxy-4-methylhept-1-en-4-ol
CID 21590003
5-Isopentyloxy-3-methyl-1-penten-3-ol
CID 21424146
5-Butan-2-yloxy-3-methylpent-1-en-3-ol
CID 21524730
5-Isopropoxy-3-methyl-1-penten-3-ol
CID 23263480
3-Methyl-5-pentan-2-yloxypent-1-en-3-ol
CID 53806025
3-Methyl-5-pentan-3-yloxypent-1-en-3-ol
CID 54244871
3-Ethoxy-5-hexen-1-ol
CID 57827681
4-(4-Hydroxy-4-methylpent-1-en-2-yl)oxy-2-methylpent-4-en-2-ol
CID 87498094
2-(1-Hydroxy-2-methylpent-4-en-2-yl)oxy-2-methylpent-4-en-1-ol
CID 87872077
Ethanol;2-methylpent-4-en-2-ol
CID 88842761

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pent-4-en-2-yloxybutan-2-ol?
The IUPAC name of 2-methyl-4-pent-4-en-2-yloxybutan-2-ol (CID 534863) is 2-methyl-4-pent-4-en-2-yloxybutan-2-ol.
What is the SMILES notation for 2-methyl-4-pent-4-en-2-yloxybutan-2-ol?
The canonical SMILES for 2-methyl-4-pent-4-en-2-yloxybutan-2-ol is C=CCC(C)OCCC(C)(C)O.
What is the InChIKey of 2-methyl-4-pent-4-en-2-yloxybutan-2-ol?
The InChIKey is VYMWRMKJIBAQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-6-9(2)12-8-7-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3.
What are the key properties of 2-methyl-4-pent-4-en-2-yloxybutan-2-ol?
2-methyl-4-pent-4-en-2-yloxybutan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pent-4-en-2-yloxybutan-2-ol is sourced from PubChem (CID 534863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).