(6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene

C16H28O — CID 134838266

IUPAC(6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene
SMILESC=CCOC(C=C(CC)CC)[C@@H](C)C(=C)CC
InChIInChI=1S/C16H28O/c1-7-11-17-16(12-15(9-3)10-4)14(6)13(5)8-2/h7,12,14,16H,1,5,8-11H2,2-4,6H3/t14-,16?/m0/s1
InChIKeyXEJMGGJYQJGBIV-LBAUFKAWSA-N
MW236.40 g/mol
LogP4.91
Rot. Bonds9

About (6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene

(6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene (PubChem CID 134838266) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene.

Molecular Properties

Compound Name(6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene
PubChem CID134838266
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene
SMILESC=CCOC(C=C(CC)CC)[C@@H](C)C(=C)CC
InChIInChI=1S/C16H28O/c1-7-11-17-16(12-15(9-3)10-4)14(6)13(5)8-2/h7,12,14,16H,1,5,8-11H2,2-4,6H3/t14-,16?/m0/s1
InChIKeyXEJMGGJYQJGBIV-LBAUFKAWSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Rose oxide
CID 27866
Rose oxide, cis-(-)-
CID 1712087
Rose oxide, cis-(+)-
CID 6432154
Rose oxide, trans-(-)-
CID 7093102
2H-Pyran, 6-butyl-3,6-dihydro-2,4-dimethyl-
CID 91147
2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
CID 116740
Edulan I
CID 521066
2-Cyclohexen-1-ol, 5-methylene-6-(1-methylethenyl)-, acetate, (1S-cis)-
CID 208438
2-Butyl-5,6-dihydro-2,4-dimethyl-2H-pyran
CID 3017306
5,6-Epoxy-5,6-dihydrolycopene
CID 131751673
Rose oxide, trans-(+)-
CID 1712086
5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108398

Frequently Asked Questions

What is the IUPAC name of (6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene?
The IUPAC name of (6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene (CID 134838266) is (6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene.
What is the SMILES notation for (6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene?
The canonical SMILES for (6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene is C=CCOC(C=C(CC)CC)[C@@H](C)C(=C)CC.
What is the InChIKey of (6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene?
The InChIKey is XEJMGGJYQJGBIV-LBAUFKAWSA-N. The full InChI is InChI=1S/C16H28O/c1-7-11-17-16(12-15(9-3)10-4)14(6)13(5)8-2/h7,12,14,16H,1,5,8-11H2,2-4,6H3/t14-,16?/m0/s1.
What are the key properties of (6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene?
(6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene has a molecular weight of 236.40 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-ethyl-6-methyl-7-methylidene-5-prop-2-enoxynon-3-ene is sourced from PubChem (CID 134838266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).