(4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene

C15H30O2 — CID 11032073

IUPAC(4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene
SMILESCCCC[C@@H](C=C(C)C)[C@@H](OCOC)C(C)C
InChIInChI=1S/C15H30O2/c1-7-8-9-14(10-12(2)3)15(13(4)5)17-11-16-6/h10,13-15H,7-9,11H2,1-6H3/t14-,15-/m0/s1
InChIKeyHTXNLQKDOFBJQJ-GJZGRUSLSA-N
MW242.40 g/mol
LogP4.40
Rot. Bonds9

About (4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene

(4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene (PubChem CID 11032073) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is (4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene.

Molecular Properties

Compound Name(4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene
PubChem CID11032073
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name(4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene
SMILESCCCC[C@@H](C=C(C)C)[C@@H](OCOC)C(C)C
InChIInChI=1S/C15H30O2/c1-7-8-9-14(10-12(2)3)15(13(4)5)17-11-16-6/h10,13-15H,7-9,11H2,1-6H3/t14-,15-/m0/s1
InChIKeyHTXNLQKDOFBJQJ-GJZGRUSLSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclohexene, 4-(dimethoxymethyl)-1,3-dimethyl-
CID 21156084
Cyclohexene, 4-(dimethoxymethyl)-1-(4-methyl-3-pentenyl)-
CID 3016657
Cyclohexene, 5-(dimethoxymethyl)-1-(4-methyl-3-pentenyl)-
CID 3016658
4-(3-(1-Ethoxyethoxy)-1-methylenepropyl)-1-methylcyclohexene
CID 175289
(3R,4R)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene
CID 3085859
(1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol
CID 11031629
(5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane
CID 11097203
(4R)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene
CID 11746813
(5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane
CID 11832053
(5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane
CID 15652071
(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane
CID 15652075
Citronellal di-isopropyl acetal
CID 101572066

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene?
The IUPAC name of (4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene (CID 11032073) is (4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene.
What is the SMILES notation for (4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene?
The canonical SMILES for (4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene is CCCC[C@@H](C=C(C)C)[C@@H](OCOC)C(C)C.
What is the InChIKey of (4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene?
The InChIKey is HTXNLQKDOFBJQJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H30O2/c1-7-8-9-14(10-12(2)3)15(13(4)5)17-11-16-6/h10,13-15H,7-9,11H2,1-6H3/t14-,15-/m0/s1.
What are the key properties of (4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene?
(4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene has a molecular weight of 242.40 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene is sourced from PubChem (CID 11032073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).