2-methoxy-2-propan-2-ylpent-4-en-1-ol

C9H18O2 — CID 23384820

IUPAC2-methoxy-2-propan-2-ylpent-4-en-1-ol
SMILESC=CCC(CO)(OC)C(C)C
InChIInChI=1S/C9H18O2/c1-5-6-9(7-10,11-4)8(2)3/h5,8,10H,1,6-7H2,2-4H3
InChIKeyHEUGLYWBIRUASF-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.60
Rot. Bonds5

About 2-methoxy-2-propan-2-ylpent-4-en-1-ol

2-methoxy-2-propan-2-ylpent-4-en-1-ol (PubChem CID 23384820) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-methoxy-2-propan-2-ylpent-4-en-1-ol.

Molecular Properties

Compound Name2-methoxy-2-propan-2-ylpent-4-en-1-ol
PubChem CID23384820
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-methoxy-2-propan-2-ylpent-4-en-1-ol
SMILESC=CCC(CO)(OC)C(C)C
InChIInChI=1S/C9H18O2/c1-5-6-9(7-10,11-4)8(2)3/h5,8,10H,1,6-7H2,2-4H3
InChIKeyHEUGLYWBIRUASF-UHFFFAOYSA-N
XLogP1.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.60
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

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(3S,4R)-4-ethenyl-2,5-dimethylhexane-2,3,5-triol
CID 162860352
(3R,4R)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 162979485
(3S,4S)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 163189878
2,3-Dimethylhex-5-ene-2,3-diol
CID 10877241
Diallyl diethylene glycol
CID 22034395
Diallyltriethylene glycol
CID 87841834
4-Ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 14413713
(3R,4R)-4-methoxy-2-methylhex-5-en-3-ol
CID 12755469
(3R,4R)-2-methylhept-6-ene-3,4-diol
CID 102481359
4-[(3-Methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol
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[(2S)-2-methyl-5,5-bis(prop-2-enyl)-1,4-dioxan-2-yl]methanol
CID 162408373

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-propan-2-ylpent-4-en-1-ol?
The IUPAC name of 2-methoxy-2-propan-2-ylpent-4-en-1-ol (CID 23384820) is 2-methoxy-2-propan-2-ylpent-4-en-1-ol.
What is the SMILES notation for 2-methoxy-2-propan-2-ylpent-4-en-1-ol?
The canonical SMILES for 2-methoxy-2-propan-2-ylpent-4-en-1-ol is C=CCC(CO)(OC)C(C)C.
What is the InChIKey of 2-methoxy-2-propan-2-ylpent-4-en-1-ol?
The InChIKey is HEUGLYWBIRUASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-6-9(7-10,11-4)8(2)3/h5,8,10H,1,6-7H2,2-4H3.
What are the key properties of 2-methoxy-2-propan-2-ylpent-4-en-1-ol?
2-methoxy-2-propan-2-ylpent-4-en-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-propan-2-ylpent-4-en-1-ol is sourced from PubChem (CID 23384820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).