(5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane

C16H32O2 — CID 11832053

IUPAC(5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane
SMILESCCCC[C@@H](C=C(C)C)[C@H](CCCC)OCOC
InChIInChI=1S/C16H32O2/c1-6-8-10-15(12-14(3)4)16(11-9-7-2)18-13-17-5/h12,15-16H,6-11,13H2,1-5H3/t15-,16-/m0/s1
InChIKeyLYZZMSJDELHLQG-HOTGVXAUSA-N
MW256.43 g/mol
LogP4.94
Rot. Bonds11

About (5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane

(5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane (PubChem CID 11832053) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is (5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane.

Molecular Properties

Compound Name(5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane
PubChem CID11832053
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name(5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane
SMILESCCCC[C@@H](C=C(C)C)[C@H](CCCC)OCOC
InChIInChI=1S/C16H32O2/c1-6-8-10-15(12-14(3)4)16(11-9-7-2)18-13-17-5/h12,15-16H,6-11,13H2,1-5H3/t15-,16-/m0/s1
InChIKeyLYZZMSJDELHLQG-HOTGVXAUSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.94
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

(4R)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene
CID 11746813
(2R,3R)-3-(methoxymethoxy)octadecan-2-ol
CID 102259146
(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-ol
CID 11030809
(3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne
CID 15416757
(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane
CID 15652078
(6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol
CID 72737093
(E,4S,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 134993005
(3S)-3-(methoxymethoxy)decan-2-one
CID 101223791
3-(methoxymethoxy)-2-methylnon-1-ene
CID 542508
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
(4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol
CID 135016264
(2R,3R,5S)-2,3-bis(methoxymethoxy)tetradecane-1,5-diol
CID 71479585

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane?
The IUPAC name of (5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane (CID 11832053) is (5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane.
What is the SMILES notation for (5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane?
The canonical SMILES for (5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane is CCCC[C@@H](C=C(C)C)[C@H](CCCC)OCOC.
What is the InChIKey of (5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane?
The InChIKey is LYZZMSJDELHLQG-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H32O2/c1-6-8-10-15(12-14(3)4)16(11-9-7-2)18-13-17-5/h12,15-16H,6-11,13H2,1-5H3/t15-,16-/m0/s1.
What are the key properties of (5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane?
(5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane has a molecular weight of 256.43 g/mol, XLogP of 4.94, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane is sourced from PubChem (CID 11832053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).