(2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene

C14H22O — CID 11994849

IUPAC(2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene
SMILESC/C=C1\C(C)=C2CCCC[C@H]2O[C@@H]1CC
InChIInChI=1S/C14H22O/c1-4-11-10(3)12-8-6-7-9-14(12)15-13(11)5-2/h4,13-14H,5-9H2,1-3H3/b11-4+/t13-,14-/m1/s1
InChIKeyXVQIBSHZXQMWGF-BAXJGOPVSA-N
MW206.33 g/mol
LogP4.00
Rot. Bonds1

About (2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene

(2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene (PubChem CID 11994849) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene.

Molecular Properties

Compound Name(2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene
PubChem CID11994849
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene
SMILESC/C=C1\C(C)=C2CCCC[C@H]2O[C@@H]1CC
InChIInChI=1S/C14H22O/c1-4-11-10(3)12-8-6-7-9-14(12)15-13(11)5-2/h4,13-14H,5-9H2,1-3H3/b11-4+/t13-,14-/m1/s1
InChIKeyXVQIBSHZXQMWGF-BAXJGOPVSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene?
The IUPAC name of (2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene (CID 11994849) is (2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene.
What is the SMILES notation for (2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene?
The canonical SMILES for (2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene is C/C=C1\C(C)=C2CCCC[C@H]2O[C@@H]1CC.
What is the InChIKey of (2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene?
The InChIKey is XVQIBSHZXQMWGF-BAXJGOPVSA-N. The full InChI is InChI=1S/C14H22O/c1-4-11-10(3)12-8-6-7-9-14(12)15-13(11)5-2/h4,13-14H,5-9H2,1-3H3/b11-4+/t13-,14-/m1/s1.
What are the key properties of (2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene?
(2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene has a molecular weight of 206.33 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,8aR)-2-ethyl-3-ethylidene-4-methyl-6,7,8,8a-tetrahydro-5H-chromene is sourced from PubChem (CID 11994849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).