(2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol

C12H22O2 — CID 155032689

IUPAC(2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol
SMILESC=C1C(C)CC(CC)OC1C[C@@H](C)O
InChIInChI=1S/C12H22O2/c1-5-11-6-8(2)10(4)12(14-11)7-9(3)13/h8-9,11-13H,4-7H2,1-3H3/t8?,9-,11?,12?/m1/s1
InChIKeyLHAPUGKLMZJNKC-QGHFROFYSA-N
MW198.31 g/mol
LogP2.52
Rot. Bonds3

About (2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol

(2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol (PubChem CID 155032689) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol
PubChem CID155032689
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol
SMILESC=C1C(C)CC(CC)OC1C[C@@H](C)O
InChIInChI=1S/C12H22O2/c1-5-11-6-8(2)10(4)12(14-11)7-9(3)13/h8-9,11-13H,4-7H2,1-3H3/t8?,9-,11?,12?/m1/s1
InChIKeyLHAPUGKLMZJNKC-QGHFROFYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.52
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)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol (CID 155032689) is (2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol is C=C1C(C)CC(CC)OC1C[C@@H](C)O.
What is the InChIKey of (2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol?
The InChIKey is LHAPUGKLMZJNKC-QGHFROFYSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-11-6-8(2)10(4)12(14-11)7-9(3)13/h8-9,11-13H,4-7H2,1-3H3/t8?,9-,11?,12?/m1/s1.
What are the key properties of (2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol?
(2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol is sourced from PubChem (CID 155032689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).