(3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol

C10H18O2 — CID 6427787

IUPAC(3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol
SMILESC=C[C@]1(C)CC[C@H](O)C(C)(C)O1
InChIInChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1
InChIKeyBCTBAGTXFYWYMW-WCBMZHEXSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds1

About (3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol

(3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol (PubChem CID 6427787) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol.

Molecular Properties

Compound Name(3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol
PubChem CID6427787
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol
SMILESC=C[C@]1(C)CC[C@H](O)C(C)(C)O1
InChIInChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1
InChIKeyBCTBAGTXFYWYMW-WCBMZHEXSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Linalool oxide, cis-
CID 6428573
Linalool, oxide
CID 22310
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, trans-
CID 6432254
Linalool oxide pyranoid, (+-)-
CID 26396
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5R)-rel-
CID 6431475
Linalool oxide IV
CID 6427788
(3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol
CID 6428574
2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, cis-
CID 11116492
(2S,3R,6S)-2,6-dimethyl-2-(4-methylpent-3-enyl)-6-vinyl-tetrahydropyran-3-ol
CID 129906296
2-Ethenyl-2,6,6-trimethyloxan-4-ol
CID 71364419
(2R,3S,6R)-6-ethenyl-2,6-dimethyl-2-(4-methylpent-3-enyl)oxan-3-ol
CID 153349112
Xylaritriol
CID 139588203

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol?
The IUPAC name of (3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol (CID 6427787) is (3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol.
What is the SMILES notation for (3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol?
The canonical SMILES for (3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol is C=C[C@]1(C)CC[C@H](O)C(C)(C)O1.
What is the InChIKey of (3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol?
The InChIKey is BCTBAGTXFYWYMW-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1.
What are the key properties of (3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol?
(3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol has a molecular weight of 170.25 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-6-ethenyl-2,2,6-trimethyloxan-3-ol is sourced from PubChem (CID 6427787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).