(2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol

C9H16O2 — CID 161441050

IUPAC(2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol
SMILESC=C1[C@H](C)O[C@@H](O)CC1(C)C
InChIInChI=1S/C9H16O2/c1-6-7(2)11-8(10)5-9(6,3)4/h7-8,10H,1,5H2,2-4H3/t7-,8+/m0/s1
InChIKeyVZGWNHNHIGSHJB-JGVFFNPUSA-N
MW156.22 g/mol
LogP1.70
Rot. Bonds

About (2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol

(2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol (PubChem CID 161441050) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol.

Molecular Properties

Compound Name(2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol
PubChem CID161441050
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol
SMILESC=C1[C@H](C)O[C@@H](O)CC1(C)C
InChIInChI=1S/C9H16O2/c1-6-7(2)11-8(10)5-9(6,3)4/h7-8,10H,1,5H2,2-4H3/t7-,8+/m0/s1
InChIKeyVZGWNHNHIGSHJB-JGVFFNPUSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol?
The IUPAC name of (2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol (CID 161441050) is (2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol.
What is the SMILES notation for (2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol?
The canonical SMILES for (2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol is C=C1[C@H](C)O[C@@H](O)CC1(C)C.
What is the InChIKey of (2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol?
The InChIKey is VZGWNHNHIGSHJB-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-7(2)11-8(10)5-9(6,3)4/h7-8,10H,1,5H2,2-4H3/t7-,8+/m0/s1.
What are the key properties of (2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol?
(2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol has a molecular weight of 156.22 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4,4,6-trimethyl-5-methylideneoxan-2-ol is sourced from PubChem (CID 161441050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).