(4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane

C16H28O — CID 16723176

IUPAC(4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane
SMILESC=CCOC([C@H](C)C(=C)CC)[C@@H](C)C(=C)CC
InChIInChI=1S/C16H28O/c1-8-11-17-16(14(6)12(4)9-2)15(7)13(5)10-3/h8,14-16H,1,4-5,9-11H2,2-3,6-7H3/t14-,15+,16?
InChIKeyJHASOLOLIABWAQ-XYPWUTKMSA-N
MW236.40 g/mol
LogP4.76
Rot. Bonds9

About (4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane

(4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane (PubChem CID 16723176) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane.

Molecular Properties

Compound Name(4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane
PubChem CID16723176
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane
SMILESC=CCOC([C@H](C)C(=C)CC)[C@@H](C)C(=C)CC
InChIInChI=1S/C16H28O/c1-8-11-17-16(14(6)12(4)9-2)15(7)13(5)10-3/h8,14-16H,1,4-5,9-11H2,2-3,6-7H3/t14-,15+,16?
InChIKeyJHASOLOLIABWAQ-XYPWUTKMSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane?
The IUPAC name of (4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane (CID 16723176) is (4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane.
What is the SMILES notation for (4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane?
The canonical SMILES for (4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane is C=CCOC([C@H](C)C(=C)CC)[C@@H](C)C(=C)CC.
What is the InChIKey of (4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane?
The InChIKey is JHASOLOLIABWAQ-XYPWUTKMSA-N. The full InChI is InChI=1S/C16H28O/c1-8-11-17-16(14(6)12(4)9-2)15(7)13(5)10-3/h8,14-16H,1,4-5,9-11H2,2-3,6-7H3/t14-,15+,16?.
What are the key properties of (4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane?
(4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane has a molecular weight of 236.40 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4,6-dimethyl-3,7-dimethylidene-5-prop-2-enoxynonane is sourced from PubChem (CID 16723176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).