2-methoxy-2-propan-2-ylhex-5-en-1-ol

C10H20O2 — CID 23384819

IUPAC2-methoxy-2-propan-2-ylhex-5-en-1-ol
SMILESC=CCCC(CO)(OC)C(C)C
InChIInChI=1S/C10H20O2/c1-5-6-7-10(8-11,12-4)9(2)3/h5,9,11H,1,6-8H2,2-4H3
InChIKeyRJURCNLYQLXKLW-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.99
Rot. Bonds6

About 2-methoxy-2-propan-2-ylhex-5-en-1-ol

2-methoxy-2-propan-2-ylhex-5-en-1-ol (PubChem CID 23384819) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methoxy-2-propan-2-ylhex-5-en-1-ol.

Molecular Properties

Compound Name2-methoxy-2-propan-2-ylhex-5-en-1-ol
PubChem CID23384819
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-methoxy-2-propan-2-ylhex-5-en-1-ol
SMILESC=CCCC(CO)(OC)C(C)C
InChIInChI=1S/C10H20O2/c1-5-6-7-10(8-11,12-4)9(2)3/h5,9,11H,1,6-8H2,2-4H3
InChIKeyRJURCNLYQLXKLW-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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

(3R,4S)-4-ethenyl-2,5-dimethylhexane-2,3,5-triol
CID 162860351
(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
(s)-2-Methyl-hept-6-ene-1,2-diol
CID 11062507
2-Methyl-6-hepten-1,2-diol
CID 13976451
Allyl pinacol
CID 140539958
4-Ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 14413713
(3R)-2-methylhept-6-ene-2,3-diol
CID 15936667
(2S,3S)-3-[(2S)-butan-2-yl]-2-methylhex-5-ene-1,3-diol
CID 101486968
(2S,3S)-3-methylhept-6-ene-1,2-diol
CID 102243304
(2R,3R)-3-methylhept-6-ene-1,2,3-triol
CID 162401008

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-propan-2-ylhex-5-en-1-ol?
The IUPAC name of 2-methoxy-2-propan-2-ylhex-5-en-1-ol (CID 23384819) is 2-methoxy-2-propan-2-ylhex-5-en-1-ol.
What is the SMILES notation for 2-methoxy-2-propan-2-ylhex-5-en-1-ol?
The canonical SMILES for 2-methoxy-2-propan-2-ylhex-5-en-1-ol is C=CCCC(CO)(OC)C(C)C.
What is the InChIKey of 2-methoxy-2-propan-2-ylhex-5-en-1-ol?
The InChIKey is RJURCNLYQLXKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-6-7-10(8-11,12-4)9(2)3/h5,9,11H,1,6-8H2,2-4H3.
What are the key properties of 2-methoxy-2-propan-2-ylhex-5-en-1-ol?
2-methoxy-2-propan-2-ylhex-5-en-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.99, 6 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-ylhex-5-en-1-ol is sourced from PubChem (CID 23384819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).