(3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran

C15H22O — CID 45097587

IUPAC(3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran
SMILESCC1=CC[C@@H](/C=C2\CCC=C2C)C(C)(C)O1
InChIInChI=1S/C15H22O/c1-11-6-5-7-13(11)10-14-9-8-12(2)16-15(14,3)4/h6,8,10,14H,5,7,9H2,1-4H3/b13-10+/t14-/m0/s1
InChIKeyMYZKUEUGZJCSJL-UELRPHRMSA-N
MW218.34 g/mol
LogP4.37
Rot. Bonds1

About (3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran

(3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran (PubChem CID 45097587) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran.

Molecular Properties

Compound Name(3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran
PubChem CID45097587
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran
SMILESCC1=CC[C@@H](/C=C2\CCC=C2C)C(C)(C)O1
InChIInChI=1S/C15H22O/c1-11-6-5-7-13(11)10-14-9-8-12(2)16-15(14,3)4/h6,8,10,14H,5,7,9H2,1-4H3/b13-10+/t14-/m0/s1
InChIKeyMYZKUEUGZJCSJL-UELRPHRMSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran?
The IUPAC name of (3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran (CID 45097587) is (3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran.
What is the SMILES notation for (3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran?
The canonical SMILES for (3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran is CC1=CC[C@@H](/C=C2\CCC=C2C)C(C)(C)O1.
What is the InChIKey of (3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran?
The InChIKey is MYZKUEUGZJCSJL-UELRPHRMSA-N. The full InChI is InChI=1S/C15H22O/c1-11-6-5-7-13(11)10-14-9-8-12(2)16-15(14,3)4/h6,8,10,14H,5,7,9H2,1-4H3/b13-10+/t14-/m0/s1.
What are the key properties of (3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran?
(3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran has a molecular weight of 218.34 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2,6-trimethyl-3-[(E)-(2-methylcyclopent-2-en-1-ylidene)methyl]-3,4-dihydropyran is sourced from PubChem (CID 45097587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).