(3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C10H18O2 — CID 58192751

IUPAC(3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2C
InChIInChI=1S/C10H18O2/c1-6(2)8-5-12-9-7(3)4-11-10(8)9/h6-10H,4-5H2,1-3H3/t7-,8+,9+,10+/m0/s1
InChIKeyJBEAFIBACFZAMM-SGIHWFKDSA-N
MW170.25 g/mol
LogP1.69
Rot. Bonds1

About (3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 58192751) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID58192751
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2C
InChIInChI=1S/C10H18O2/c1-6(2)8-5-12-9-7(3)4-11-10(8)9/h6-10H,4-5H2,1-3H3/t7-,8+,9+,10+/m0/s1
InChIKeyJBEAFIBACFZAMM-SGIHWFKDSA-N
XLogP1.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 58192751) is (3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CC(C)[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2C.
What is the InChIKey of (3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is JBEAFIBACFZAMM-SGIHWFKDSA-N. The full InChI is InChI=1S/C10H18O2/c1-6(2)8-5-12-9-7(3)4-11-10(8)9/h6-10H,4-5H2,1-3H3/t7-,8+,9+,10+/m0/s1.
What are the key properties of (3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 170.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 58192751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).