(E,3R)-2-methylhept-4-en-3-ol

C8H16O — CID 59911150

IUPAC(E,3R)-2-methylhept-4-en-3-ol
SMILESCC/C=C/[C@H](O)C(C)C
InChIInChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h5-9H,4H2,1-3H3/b6-5+/t8-/m0/s1
InChIKeyGGZRDVFZOLYVME-GJIOHYHPSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds3

About (E,3R)-2-methylhept-4-en-3-ol

(E,3R)-2-methylhept-4-en-3-ol (PubChem CID 59911150) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (E,3R)-2-methylhept-4-en-3-ol.

Molecular Properties

Compound Name(E,3R)-2-methylhept-4-en-3-ol
PubChem CID59911150
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(E,3R)-2-methylhept-4-en-3-ol
SMILESCC/C=C/[C@H](O)C(C)C
InChIInChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h5-9H,4H2,1-3H3/b6-5+/t8-/m0/s1
InChIKeyGGZRDVFZOLYVME-GJIOHYHPSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylhept-4-en-3-ol
CID 54499499
hept-4-ene-2,3-diol
CID 54484674
(E)-2-methylhept-4-ene-1,3-diol
CID 14758919
3-methylhept-4-en-2-ol
CID 90779417
7-methyloct-4-ene-1,6-diol
CID 57100736
octa-3,5-dien-2-ol
CID 543636
(E,3R)-hept-4-en-3-ol
CID 11007865
1-chloropent-2-en-1-ol
CID 141457215
(E,5S)-5,6,6-trimethylhept-3-ene
CID 134979568
(Z)-2-methylhex-3-en-1-ol
CID 15174591
(E)-2-bromohex-3-ene
CID 15881334
(Z)-5-methylhept-3-ene
CID 5364727

Frequently Asked Questions

What is the IUPAC name of (E,3R)-2-methylhept-4-en-3-ol?
The IUPAC name of (E,3R)-2-methylhept-4-en-3-ol (CID 59911150) is (E,3R)-2-methylhept-4-en-3-ol.
What is the SMILES notation for (E,3R)-2-methylhept-4-en-3-ol?
The canonical SMILES for (E,3R)-2-methylhept-4-en-3-ol is CC/C=C/[C@H](O)C(C)C.
What is the InChIKey of (E,3R)-2-methylhept-4-en-3-ol?
The InChIKey is GGZRDVFZOLYVME-GJIOHYHPSA-N. The full InChI is InChI=1S/C8H16O/c1-4-5-6-8(9)7(2)3/h5-9H,4H2,1-3H3/b6-5+/t8-/m0/s1.
What are the key properties of (E,3R)-2-methylhept-4-en-3-ol?
(E,3R)-2-methylhept-4-en-3-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-2-methylhept-4-en-3-ol is sourced from PubChem (CID 59911150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).