(E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol

C11H20O2 — CID 130128884

IUPAC(E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol
SMILESCC1(C)CCCC(C)(/C=C/CO)O1
InChIInChI=1S/C11H20O2/c1-10(2)6-4-7-11(3,13-10)8-5-9-12/h5,8,12H,4,6-7,9H2,1-3H3/b8-5+
InChIKeyMGBPIBRPPLHUKF-VMPITWQZSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds2

About (E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol

(E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol (PubChem CID 130128884) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol
PubChem CID130128884
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol
SMILESCC1(C)CCCC(C)(/C=C/CO)O1
InChIInChI=1S/C11H20O2/c1-10(2)6-4-7-11(3,13-10)8-5-9-12/h5,8,12H,4,6-7,9H2,1-3H3/b8-5+
InChIKeyMGBPIBRPPLHUKF-VMPITWQZSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
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 (E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol (CID 130128884) is (E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol is CC1(C)CCCC(C)(/C=C/CO)O1.
What is the InChIKey of (E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol?
The InChIKey is MGBPIBRPPLHUKF-VMPITWQZSA-N. The full InChI is InChI=1S/C11H20O2/c1-10(2)6-4-7-11(3,13-10)8-5-9-12/h5,8,12H,4,6-7,9H2,1-3H3/b8-5+.
What are the key properties of (E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol?
(E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6,6-trimethyloxan-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 130128884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).