(2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran

C14H24O — CID 59509303

IUPAC(2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran
SMILESCC(C)=CCCC1(C)C=C[C@@H](C)[C@@H](C)O1
InChIInChI=1S/C14H24O/c1-11(2)7-6-9-14(5)10-8-12(3)13(4)15-14/h7-8,10,12-13H,6,9H2,1-5H3/t12-,13-,14?/m1/s1
InChIKeyBBCWGPNEAIPCJC-ZFXTZCCVSA-N
MW208.34 g/mol
LogP4.10
Rot. Bonds3

About (2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran

(2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran (PubChem CID 59509303) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran.

Molecular Properties

Compound Name(2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran
PubChem CID59509303
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran
SMILESCC(C)=CCCC1(C)C=C[C@@H](C)[C@@H](C)O1
InChIInChI=1S/C14H24O/c1-11(2)7-6-9-14(5)10-8-12(3)13(4)15-14/h7-8,10,12-13H,6,9H2,1-5H3/t12-,13-,14?/m1/s1
InChIKeyBBCWGPNEAIPCJC-ZFXTZCCVSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.10
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 (2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran?
The IUPAC name of (2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran (CID 59509303) is (2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran.
What is the SMILES notation for (2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran?
The canonical SMILES for (2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran is CC(C)=CCCC1(C)C=C[C@@H](C)[C@@H](C)O1.
What is the InChIKey of (2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran?
The InChIKey is BBCWGPNEAIPCJC-ZFXTZCCVSA-N. The full InChI is InChI=1S/C14H24O/c1-11(2)7-6-9-14(5)10-8-12(3)13(4)15-14/h7-8,10,12-13H,6,9H2,1-5H3/t12-,13-,14?/m1/s1.
What are the key properties of (2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran?
(2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran has a molecular weight of 208.34 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3,6-trimethyl-6-(4-methylpent-3-enyl)-2,3-dihydropyran is sourced from PubChem (CID 59509303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).