(4R)-4-ethylhex-5-en-1-ol

C8H16O — CID 101460600

IUPAC(4R)-4-ethylhex-5-en-1-ol
SMILESC=C[C@H](CC)CCCO
InChIInChI=1S/C8H16O/c1-3-8(4-2)6-5-7-9/h3,8-9H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyXCOYKVAMKUXYNH-MRVPVSSYSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds5

About (4R)-4-ethylhex-5-en-1-ol

(4R)-4-ethylhex-5-en-1-ol (PubChem CID 101460600) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is (4R)-4-ethylhex-5-en-1-ol.

Molecular Properties

Compound Name(4R)-4-ethylhex-5-en-1-ol
PubChem CID101460600
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name(4R)-4-ethylhex-5-en-1-ol
SMILESC=C[C@H](CC)CCCO
InChIInChI=1S/C8H16O/c1-3-8(4-2)6-5-7-9/h3,8-9H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyXCOYKVAMKUXYNH-MRVPVSSYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

Citronellol
CID 8842
Beta-citronellol, (S)-
CID 7793
beta-CITRONELLOL, (R)-
CID 101977
6,10-Dodecadien-1-ol, 3,7,11-trimethyl-
CID 439223
3,7-Dimethylnon-6-en-1-ol
CID 544330
2,4,7-Trimethyloct-6-en-1-ol
CID 126505187
Dihydrofarnesol
CID 5280341
3S,7,11-Trimethyl-6E,10-dodecadien-1-ol
CID 11160445
2,3-Dihydrofarnesol
CID 15584898
2,2-Dimethylhex-5-en-1-ol
CID 10240821
6-Hepten-1-ol, 2-methyl-
CID 565262
3-Cyclohexene-1-ethanol
CID 86682

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethylhex-5-en-1-ol?
The IUPAC name of (4R)-4-ethylhex-5-en-1-ol (CID 101460600) is (4R)-4-ethylhex-5-en-1-ol.
What is the SMILES notation for (4R)-4-ethylhex-5-en-1-ol?
The canonical SMILES for (4R)-4-ethylhex-5-en-1-ol is C=C[C@H](CC)CCCO.
What is the InChIKey of (4R)-4-ethylhex-5-en-1-ol?
The InChIKey is XCOYKVAMKUXYNH-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-8(4-2)6-5-7-9/h3,8-9H,1,4-7H2,2H3/t8-/m1/s1.
What are the key properties of (4R)-4-ethylhex-5-en-1-ol?
(4R)-4-ethylhex-5-en-1-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethylhex-5-en-1-ol is sourced from PubChem (CID 101460600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).