(E)-2-methyl-4-propyloct-4-en-3-ol

C12H24O — CID 102155759

IUPAC(E)-2-methyl-4-propyloct-4-en-3-ol
SMILESCCC/C=C(\CCC)C(O)C(C)C
InChIInChI=1S/C12H24O/c1-5-7-9-11(8-6-2)12(13)10(3)4/h9-10,12-13H,5-8H2,1-4H3/b11-9+
InChIKeyVBKIDFOBSYQANO-PKNBQFBNSA-N
MW184.32 g/mol
LogP3.53
Rot. Bonds6

About (E)-2-methyl-4-propyloct-4-en-3-ol

(E)-2-methyl-4-propyloct-4-en-3-ol (PubChem CID 102155759) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (E)-2-methyl-4-propyloct-4-en-3-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-propyloct-4-en-3-ol
PubChem CID102155759
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(E)-2-methyl-4-propyloct-4-en-3-ol
SMILESCCC/C=C(\CCC)C(O)C(C)C
InChIInChI=1S/C12H24O/c1-5-7-9-11(8-6-2)12(13)10(3)4/h9-10,12-13H,5-8H2,1-4H3/b11-9+
InChIKeyVBKIDFOBSYQANO-PKNBQFBNSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.53
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

(E,3R)-2-methyl-4-propyloct-4-en-3-ol
CID 11019550
4-ethyl-5-propylnona-1,5-diene
CID 173391787
3-propyldodec-3-en-2-ol
CID 71375191
2-ethylidenepentane-1,1-diol
CID 174458356
(2E,6E)-6-ethyldeca-2,6-diene-4,5-diol
CID 5367947
N,N-di(propan-2-yl)oct-4-en-4-amine
CID 141319755
hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene
CID 172808064
(E)-4-bromooct-4-ene
CID 13093303
2,3-dimethylhept-3-en-2-ol
CID 175454494
(E)-3-propan-2-ylhex-2-ene
CID 142020071
(2Z)-2-butylidenepentane-1,4-diol
CID 100944358
4-butan-2-yl-2,3-dimethyloct-4-ene
CID 123920720

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-propyloct-4-en-3-ol?
The IUPAC name of (E)-2-methyl-4-propyloct-4-en-3-ol (CID 102155759) is (E)-2-methyl-4-propyloct-4-en-3-ol.
What is the SMILES notation for (E)-2-methyl-4-propyloct-4-en-3-ol?
The canonical SMILES for (E)-2-methyl-4-propyloct-4-en-3-ol is CCC/C=C(\CCC)C(O)C(C)C.
What is the InChIKey of (E)-2-methyl-4-propyloct-4-en-3-ol?
The InChIKey is VBKIDFOBSYQANO-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H24O/c1-5-7-9-11(8-6-2)12(13)10(3)4/h9-10,12-13H,5-8H2,1-4H3/b11-9+.
What are the key properties of (E)-2-methyl-4-propyloct-4-en-3-ol?
(E)-2-methyl-4-propyloct-4-en-3-ol has a molecular weight of 184.32 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-propyloct-4-en-3-ol is sourced from PubChem (CID 102155759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).