(6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene

C14H28O — CID 173253621

IUPAC(6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene
SMILESCC(C)=CCC[C@H](C)CCOCC(C)C
InChIInChI=1S/C14H28O/c1-12(2)7-6-8-14(5)9-10-15-11-13(3)4/h7,13-14H,6,8-11H2,1-5H3/t14-/m0/s1
InChIKeyRVUNEIPEFGMXJA-AWEZNQCLSA-N
MW212.38 g/mol
LogP4.43
Rot. Bonds8

About (6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene

(6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene (PubChem CID 173253621) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene.

Molecular Properties

Compound Name(6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene
PubChem CID173253621
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene
SMILESCC(C)=CCC[C@H](C)CCOCC(C)C
InChIInChI=1S/C14H28O/c1-12(2)7-6-8-14(5)9-10-15-11-13(3)4/h7,13-14H,6,8-11H2,1-5H3/t14-/m0/s1
InChIKeyRVUNEIPEFGMXJA-AWEZNQCLSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.43
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'}

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Related Compounds

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CID 14805750
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2,6,10,13-tetramethyltetradec-2-ene
CID 58292520
bis(3,7-dimethyloct-6-enoxy)methanediol
CID 18544976
(6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene
CID 87863892
[(3R)-3,7-dimethyloct-6-enyl] 2-methylpropanoate
CID 24884268
3,7-dimethyloct-6-enoxymethylbenzene
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3,7-dimethyloct-6-enyl 2-hydroxypropanoate
CID 15413263
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
CID 173125400
CID 173125400
5,9-dimethyldeca-1,8-diene
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Frequently Asked Questions

What is the IUPAC name of (6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene?
The IUPAC name of (6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene (CID 173253621) is (6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene.
What is the SMILES notation for (6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene?
The canonical SMILES for (6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene is CC(C)=CCC[C@H](C)CCOCC(C)C.
What is the InChIKey of (6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene?
The InChIKey is RVUNEIPEFGMXJA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H28O/c1-12(2)7-6-8-14(5)9-10-15-11-13(3)4/h7,13-14H,6,8-11H2,1-5H3/t14-/m0/s1.
What are the key properties of (6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene?
(6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene has a molecular weight of 212.38 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,6-dimethyl-8-(2-methylpropoxy)oct-2-ene is sourced from PubChem (CID 173253621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).