(3R,4R)-4-methoxy-2-methylhex-5-en-3-ol

C8H16O2 — CID 12755469

IUPAC(3R,4R)-4-methoxy-2-methylhex-5-en-3-ol
SMILESC=C[C@@H](OC)[C@H](O)C(C)C
InChIInChI=1S/C8H16O2/c1-5-7(10-4)8(9)6(2)3/h5-9H,1H2,2-4H3/t7-,8-/m1/s1
InChIKeyJGXDPGKKHDMNED-HTQZYQBOSA-N
MW144.21 g/mol
LogP1.20
Rot. Bonds4

About (3R,4R)-4-methoxy-2-methylhex-5-en-3-ol

(3R,4R)-4-methoxy-2-methylhex-5-en-3-ol (PubChem CID 12755469) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (3R,4R)-4-methoxy-2-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-methoxy-2-methylhex-5-en-3-ol
PubChem CID12755469
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(3R,4R)-4-methoxy-2-methylhex-5-en-3-ol
SMILESC=C[C@@H](OC)[C@H](O)C(C)C
InChIInChI=1S/C8H16O2/c1-5-7(10-4)8(9)6(2)3/h5-9H,1H2,2-4H3/t7-,8-/m1/s1
InChIKeyJGXDPGKKHDMNED-HTQZYQBOSA-N
XLogP1.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.20
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,4R)-4-methoxyhex-5-en-3-ol
CID 12755464
4-(Methoxymethoxy)-2-methylhex-5-en-3-ol
CID 12916901
(2S)-1-methoxy-3,5-dimethylnona-3,4,8-trien-2-ol
CID 102376969
(3R,4R)-2-methylhept-6-ene-3,4-diol
CID 102481359
(3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol
CID 134886585
2-Methyl-4-propan-2-yloxyhex-5-en-3-ol
CID 134905984
4-Propan-2-yloxyhex-5-en-3-ol
CID 134978903
2-(2-Ethylbutoxy)but-3-en-1-ol
CID 233735
2-Methyl-2-prop-2-enoxypent-4-en-1-ol
CID 10583026
2-Prop-2-enoxy-2-prop-2-enylpent-4-en-1-ol
CID 10631292
(3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol
CID 10797518
4-Methoxyhex-5-en-3-ol
CID 12755463

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methoxy-2-methylhex-5-en-3-ol?
The IUPAC name of (3R,4R)-4-methoxy-2-methylhex-5-en-3-ol (CID 12755469) is (3R,4R)-4-methoxy-2-methylhex-5-en-3-ol.
What is the SMILES notation for (3R,4R)-4-methoxy-2-methylhex-5-en-3-ol?
The canonical SMILES for (3R,4R)-4-methoxy-2-methylhex-5-en-3-ol is C=C[C@@H](OC)[C@H](O)C(C)C.
What is the InChIKey of (3R,4R)-4-methoxy-2-methylhex-5-en-3-ol?
The InChIKey is JGXDPGKKHDMNED-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-7(10-4)8(9)6(2)3/h5-9H,1H2,2-4H3/t7-,8-/m1/s1.
What are the key properties of (3R,4R)-4-methoxy-2-methylhex-5-en-3-ol?
(3R,4R)-4-methoxy-2-methylhex-5-en-3-ol has a molecular weight of 144.21 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methoxy-2-methylhex-5-en-3-ol is sourced from PubChem (CID 12755469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).