(4R)-4-methoxy-2,5,5-trimethylhex-2-ene

C10H20O — CID 135046024

IUPAC(4R)-4-methoxy-2,5,5-trimethylhex-2-ene
SMILESCO[C@H](C=C(C)C)C(C)(C)C
InChIInChI=1S/C10H20O/c1-8(2)7-9(11-6)10(3,4)5/h7,9H,1-6H3/t9-/m1/s1
InChIKeyAWRMGLAJAGFTOU-SECBINFHSA-N
MW156.27 g/mol
LogP3.01
Rot. Bonds2

About (4R)-4-methoxy-2,5,5-trimethylhex-2-ene

(4R)-4-methoxy-2,5,5-trimethylhex-2-ene (PubChem CID 135046024) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (4R)-4-methoxy-2,5,5-trimethylhex-2-ene.

Molecular Properties

Compound Name(4R)-4-methoxy-2,5,5-trimethylhex-2-ene
PubChem CID135046024
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(4R)-4-methoxy-2,5,5-trimethylhex-2-ene
SMILESCO[C@H](C=C(C)C)C(C)(C)C
InChIInChI=1S/C10H20O/c1-8(2)7-9(11-6)10(3,4)5/h7,9H,1-6H3/t9-/m1/s1
InChIKeyAWRMGLAJAGFTOU-SECBINFHSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-N,2,6,6-tetramethylhept-2-en-4-amine
CID 116724549
(4R)-2,4,5,5-tetramethylhex-2-ene
CID 172513214
(5-ethyl-2,5-dimethylhept-2-en-4-yl) dihydrogen phosphite
CID 89140611
(3S)-3-tert-butyl-5-methylhexa-1,4-diene
CID 59105635
2-methoxy-N,2,5-trimethylhex-4-en-3-amine
CID 79198368
CID 174104009
CID 174104009
1,1-dimethoxy-2,4-dimethylpent-3-en-2-ol
CID 79190357
3-(2-hydroxy-2,5-dimethylhex-4-en-3-yl)oxypropane-1,2-diol
CID 174900159
tert-butyl 2-tert-butyl-4-methylpent-3-enoate
CID 88849683
4-ethoxy-3,3,6-trimethylhept-5-enenitrile
CID 154137270
methane;bis(3-methoxy-2,2,4,4-tetramethylpentane);bis(2,2,4,4-tetramethylpentan-3-ol)
CID 161275030
4,4-dimethylpent-1-en-3-yl 3-methylbut-2-enoate
CID 10750404

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methoxy-2,5,5-trimethylhex-2-ene?
The IUPAC name of (4R)-4-methoxy-2,5,5-trimethylhex-2-ene (CID 135046024) is (4R)-4-methoxy-2,5,5-trimethylhex-2-ene.
What is the SMILES notation for (4R)-4-methoxy-2,5,5-trimethylhex-2-ene?
The canonical SMILES for (4R)-4-methoxy-2,5,5-trimethylhex-2-ene is CO[C@H](C=C(C)C)C(C)(C)C.
What is the InChIKey of (4R)-4-methoxy-2,5,5-trimethylhex-2-ene?
The InChIKey is AWRMGLAJAGFTOU-SECBINFHSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)7-9(11-6)10(3,4)5/h7,9H,1-6H3/t9-/m1/s1.
What are the key properties of (4R)-4-methoxy-2,5,5-trimethylhex-2-ene?
(4R)-4-methoxy-2,5,5-trimethylhex-2-ene has a molecular weight of 156.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methoxy-2,5,5-trimethylhex-2-ene is sourced from PubChem (CID 135046024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).