(2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane

C14H22O — CID 14734016

IUPAC(2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane
SMILESC=C1CCC(C)(C)[C@@H](C2=CCC[C@H]2C)O1
InChIInChI=1S/C14H22O/c1-10-6-5-7-12(10)13-14(3,4)9-8-11(2)15-13/h7,10,13H,2,5-6,8-9H2,1,3-4H3/t10-,13-/m1/s1
InChIKeyFLATXXUQFKTOIF-ZWNOBZJWSA-N
MW206.33 g/mol
LogP4.06
Rot. Bonds1

About (2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane

(2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane (PubChem CID 14734016) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane
PubChem CID14734016
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane
SMILESC=C1CCC(C)(C)[C@@H](C2=CCC[C@H]2C)O1
InChIInChI=1S/C14H22O/c1-10-6-5-7-12(10)13-14(3,4)9-8-11(2)15-13/h7,10,13H,2,5-6,8-9H2,1,3-4H3/t10-,13-/m1/s1
InChIKeyFLATXXUQFKTOIF-ZWNOBZJWSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane?
The IUPAC name of (2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane (CID 14734016) is (2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane.
What is the SMILES notation for (2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane?
The canonical SMILES for (2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane is C=C1CCC(C)(C)[C@@H](C2=CCC[C@H]2C)O1.
What is the InChIKey of (2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane?
The InChIKey is FLATXXUQFKTOIF-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H22O/c1-10-6-5-7-12(10)13-14(3,4)9-8-11(2)15-13/h7,10,13H,2,5-6,8-9H2,1,3-4H3/t10-,13-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane?
(2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane has a molecular weight of 206.33 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-[(5R)-5-methylcyclopenten-1-yl]-6-methylideneoxane is sourced from PubChem (CID 14734016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).