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

C10H18O2 — CID 58165022

IUPAC(3R,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-/m1/s1
InChIKeyJBEAFIBACFZAMM-ZYUZMQFOSA-N
MW170.25 g/mol
LogP1.69
Rot. Bonds1

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

(3R,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 58165022) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3R,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3R,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID58165022
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3R,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-/m1/s1
InChIKeyJBEAFIBACFZAMM-ZYUZMQFOSA-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

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

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Related Compounds

(3aR,6aS)-6-fluoro-3-methoxy-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 138719581
(3R,3aR,6aS)-6-fluoro-3-[(2-methylpropan-2-yl)oxy]-6-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 139315603
(3R,3aR,6aS)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 167164409
(3S,3aR,6aS)-3-ethyl-6,6-difluoro-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 167164410
(3R,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 169322476
(3S,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 169322488
(3S,3aS,6R,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 169322490
(3S,3aR,6R,6aS)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 169322491
(3R,3aR,6R,6aS)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 169322495
(3R,3aR,6S,6aS)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 169322496
(3S,3aS,6S,6aR)-6-fluoro-3-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 169322500
(3R,3aS,6aR)-6,6-difluoro-3-propan-2-yl-3,3a,5,6a-tetrahydro-2H-furo[3,2-b]furan
CID 169322504

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3R,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 58165022) is (3R,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 (3R,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3R,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 (3R,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is JBEAFIBACFZAMM-ZYUZMQFOSA-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-/m1/s1.
What are the key properties of (3R,3aR,6S,6aR)-3-methyl-6-propan-2-yl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3R,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 (3R,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 58165022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).