(4S)-4-methoxyundec-1-ene

C12H24O — CID 53329273

IUPAC(4S)-4-methoxyundec-1-ene
SMILESC=CC[C@H](CCCCCCC)OC
InChIInChI=1S/C12H24O/c1-4-6-7-8-9-11-12(13-3)10-5-2/h5,12H,2,4,6-11H2,1,3H3/t12-/m1/s1
InChIKeyZGNQOAIWIDLUEF-GFCCVEGCSA-N
MW184.32 g/mol
LogP3.94
Rot. Bonds9

About (4S)-4-methoxyundec-1-ene

(4S)-4-methoxyundec-1-ene (PubChem CID 53329273) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (4S)-4-methoxyundec-1-ene.

Molecular Properties

Compound Name(4S)-4-methoxyundec-1-ene
PubChem CID53329273
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(4S)-4-methoxyundec-1-ene
SMILESC=CC[C@H](CCCCCCC)OC
InChIInChI=1S/C12H24O/c1-4-6-7-8-9-11-12(13-3)10-5-2/h5,12H,2,4,6-11H2,1,3H3/t12-/m1/s1
InChIKeyZGNQOAIWIDLUEF-GFCCVEGCSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4S)-4-methoxyundec-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Nonen-4-ol
CID 141975
(7-Octenyl)oxirane
CID 543758
3-Hexyl-5-prop-2-enyldioxolane
CID 155147312
1-Decene, 10-methoxy-
CID 3085890
2-(Prop-2-en-1-yl)oxane
CID 10866337
(R)-(+)-1,2-Epoxy-9-decene
CID 7018005
2-Dodec-11-enyloxirane
CID 5743593
(2R,3R)-2-dec-9-enyl-3-pentyloxirane
CID 162959353
11-Dodecen-2-ol
CID 10702653
1-Dodecen-4-ol
CID 11745312
12-Tridecen-2-ol
CID 14825962
(S)-1-Undecen-4-ol
CID 11378750

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxyundec-1-ene?
The IUPAC name of (4S)-4-methoxyundec-1-ene (CID 53329273) is (4S)-4-methoxyundec-1-ene.
What is the SMILES notation for (4S)-4-methoxyundec-1-ene?
The canonical SMILES for (4S)-4-methoxyundec-1-ene is C=CC[C@H](CCCCCCC)OC.
What is the InChIKey of (4S)-4-methoxyundec-1-ene?
The InChIKey is ZGNQOAIWIDLUEF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24O/c1-4-6-7-8-9-11-12(13-3)10-5-2/h5,12H,2,4,6-11H2,1,3H3/t12-/m1/s1.
What are the key properties of (4S)-4-methoxyundec-1-ene?
(4S)-4-methoxyundec-1-ene has a molecular weight of 184.32 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxyundec-1-ene is sourced from PubChem (CID 53329273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).