(2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol

C9H18O2 — CID 59910944

IUPAC(2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol
SMILESC=CCC(C)(OC)[C@H](C)CO
InChIInChI=1S/C9H18O2/c1-5-6-9(3,11-4)8(2)7-10/h5,8,10H,1,6-7H2,2-4H3/t8-,9?/m1/s1
InChIKeyIQBVFNPIKFGVNZ-VEDVMXKPSA-N
MW158.24 g/mol
LogP1.60
Rot. Bonds5

About (2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol

(2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol (PubChem CID 59910944) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol.

Molecular Properties

Compound Name(2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol
PubChem CID59910944
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol
SMILESC=CCC(C)(OC)[C@H](C)CO
InChIInChI=1S/C9H18O2/c1-5-6-9(3,11-4)8(2)7-10/h5,8,10H,1,6-7H2,2-4H3/t8-,9?/m1/s1
InChIKeyIQBVFNPIKFGVNZ-VEDVMXKPSA-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

2-(hydroxymethyl)-3-methyl-2-prop-2-enylbutane-1,4-diol
CID 87261252
3-methoxy-2,3-dimethylpentan-1-ol
CID 87273365
tert-butyl N-(1-hydroxy-3-methoxy-3-methylhex-5-en-2-yl)carbamate
CID 20744613
2,3,3-trimethyl-4-(2-methylpent-4-en-2-yl)pentane-1,5-diol
CID 88870818
2-methoxypent-4-en-1-ol
CID 90985403
5-methoxy-5,6-dimethylhept-1-ene
CID 23385174
4-methoxy-4-prop-2-enylhepta-1,6-diene
CID 164754119
2-amino-2-methylpent-4-en-1-ol
CID 55291318
(4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene
CID 59039373
6-methoxy-6-methylhept-1-en-4-ol
CID 103027433
4,4,7-trimethyl-6-methylideneoct-1-ene
CID 59085404
3-(4-hydroxy-2,3-dimethylbutan-2-yl)oxy-2,3-dimethylbutan-1-ol
CID 87369520

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol?
The IUPAC name of (2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol (CID 59910944) is (2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol.
What is the SMILES notation for (2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol?
The canonical SMILES for (2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol is C=CCC(C)(OC)[C@H](C)CO.
What is the InChIKey of (2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol?
The InChIKey is IQBVFNPIKFGVNZ-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H18O2/c1-5-6-9(3,11-4)8(2)7-10/h5,8,10H,1,6-7H2,2-4H3/t8-,9?/m1/s1.
What are the key properties of (2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol?
(2R)-3-methoxy-2,3-dimethylhex-5-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 (2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol is sourced from PubChem (CID 59910944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).