7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran

C12H20O2 — CID 20764071

IUPAC7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran
SMILESC=C1COC2C(C)OC(C(C)C)CC12
InChIInChI=1S/C12H20O2/c1-7(2)11-5-10-8(3)6-13-12(10)9(4)14-11/h7,9-12H,3,5-6H2,1-2,4H3
InChIKeySUVUUHJOVHPBTP-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.39
Rot. Bonds1

About 7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran

7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran (PubChem CID 20764071) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran.

Molecular Properties

Compound Name7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran
PubChem CID20764071
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran
SMILESC=C1COC2C(C)OC(C(C)C)CC12
InChIInChI=1S/C12H20O2/c1-7(2)11-5-10-8(3)6-13-12(10)9(4)14-11/h7,9-12H,3,5-6H2,1-2,4H3
InChIKeySUVUUHJOVHPBTP-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-ethoxy-7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran
CID 20764067
2,2,2-trichloro-N-(7-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-5-yl)acetamide
CID 22560928
4-methylidene-2-propan-2-yloxolane
CID 154592638
(3R,4R,6R)-3-amino-2-methyl-6-propan-2-yloxan-4-ol
CID 89411183
(3S,4R,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
CID 89411156
(2S,3R,4S,6R)-4-amino-2-methyl-6-propan-2-yloxan-3-ol
CID 134195892
(4S,6R)-2-methylidene-4,6-di(propan-2-yl)-1,3-dioxane
CID 59227326
(3aS,6R,7S,7aR)-6-methyl-3-methylidene-4,5,7,7a-tetrahydro-3aH-1-benzofuran-6,7-diol
CID 11367414
(3aR,6aR)-3-methyl-6-methylidene-2,3,3a,6a-tetrahydrofuro[3,2-b]furan
CID 163761587
2,4-dimethyl-6-propan-2-yloxane
CID 86234215
(2S,3aS,6aS)-6-methylidene-2-propan-2-yl-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-5-one
CID 10702580
(3aS,7R,7aR)-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-7-ol
CID 71525224

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran?
The IUPAC name of 7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran (CID 20764071) is 7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran.
What is the SMILES notation for 7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran?
The canonical SMILES for 7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran is C=C1COC2C(C)OC(C(C)C)CC12.
What is the InChIKey of 7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran?
The InChIKey is SUVUUHJOVHPBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-7(2)11-5-10-8(3)6-13-12(10)9(4)14-11/h7,9-12H,3,5-6H2,1-2,4H3.
What are the key properties of 7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran?
7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran has a molecular weight of 196.29 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylidene-5-propan-2-yl-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran is sourced from PubChem (CID 20764071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).