(7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran

C10H16O2 — CID 162400652

IUPAC(7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESCC(C)=C1CO[C@@H]2OCCCC12
InChIInChI=1S/C10H16O2/c1-7(2)9-6-12-10-8(9)4-3-5-11-10/h8,10H,3-6H2,1-2H3/t8?,10-/m0/s1
InChIKeyDFIAFQNVBGKRMO-HTLJXXAVSA-N
MW168.24 g/mol
LogP2.11
Rot. Bonds

About (7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran

(7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (PubChem CID 162400652) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.

Molecular Properties

Compound Name(7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
PubChem CID162400652
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
SMILESCC(C)=C1CO[C@@H]2OCCCC12
InChIInChI=1S/C10H16O2/c1-7(2)9-6-12-10-8(9)4-3-5-11-10/h8,10H,3-6H2,1-2H3/t8?,10-/m0/s1
InChIKeyDFIAFQNVBGKRMO-HTLJXXAVSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran with MolForge

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Related Compounds

3-methylenehexahydro-4H-furo[2,3-b]pyran
CID 11815452
(3aR,7aS)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 13775279
(3E,3aR,7aS)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 101228533
(3Z)-3-ethylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 176431596
6-ethoxy-4-methyl-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 141740164
(3aS,7aR)-3-methylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 10796831
(3S,4aS)-3-methoxy-7-methyl-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran
CID 10931829
(3E)-3-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 11106640
(3E,3aS,7aR)-3-prop-2-enylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 11126640
(3Z)-3-hexylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 11127549
(3aR,7aS)-3-ethenylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran
CID 11194435
(3E)-3-heptylidenehexahydro-4H-furo[2,3-b]pyran
CID 24975354

Frequently Asked Questions

What is the IUPAC name of (7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The IUPAC name of (7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran (CID 162400652) is (7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran.
What is the SMILES notation for (7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The canonical SMILES for (7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is CC(C)=C1CO[C@@H]2OCCCC12.
What is the InChIKey of (7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
The InChIKey is DFIAFQNVBGKRMO-HTLJXXAVSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)9-6-12-10-8(9)4-3-5-11-10/h8,10H,3-6H2,1-2H3/t8?,10-/m0/s1.
What are the key properties of (7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran?
(7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran has a molecular weight of 168.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-3-propan-2-ylidene-4,5,6,7a-tetrahydro-3aH-furo[2,3-b]pyran is sourced from PubChem (CID 162400652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).