(3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]

C17H24O5 — CID 18597827

IUPAC(3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
SMILESCC[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]1OCc1ccoc1
InChIInChI=1S/C17H24O5/c1-2-13-14(19-11-12-6-9-18-10-12)15-16(20-13)22-17(21-15)7-4-3-5-8-17/h6,9-10,13-16H,2-5,7-8,11H2,1H3/t13-,14+,15-,16-/m1/s1
InChIKeyHJRGXGUVCUNMPE-QKPAOTATSA-N
MW308.37 g/mol
LogP3.38
Rot. Bonds4

About (3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]

(3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] (PubChem CID 18597827) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane].

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
PubChem CID18597827
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name(3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
SMILESCC[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]1OCc1ccoc1
InChIInChI=1S/C17H24O5/c1-2-13-14(19-11-12-6-9-18-10-12)15-16(20-13)22-17(21-15)7-4-3-5-8-17/h6,9-10,13-16H,2-5,7-8,11H2,1H3/t13-,14+,15-,16-/m1/s1
InChIKeyHJRGXGUVCUNMPE-QKPAOTATSA-N
XLogP3.38
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] with MolForge

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Related Compounds

(3aR,5R,6S,6aR)-5-butyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 18597828
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546
CID 3497403
CID 3497403
(3aR,5S,6R,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-6-[(4-ethoxyphenyl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 92509162
(3aR,5R,6S,6aR)-5-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-6-[(4-methoxyphenyl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 40837222
(3aR,5R,6S,6aR)-6-[(4-butoxyphenyl)methoxy]-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 25425895
(3aR,5S,6R,6aS)-6-[(4-butoxyphenyl)methoxy]-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 100878862
(3aR,5R,6S,6aR)-6-[(2-fluorophenyl)methoxy]-5-prop-2-enylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 54432215
(3aR,5R,6S,6aR)-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-5-(2-methylpropyl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
CID 18597822
CID 11888752
CID 11888752
CID 3257099
CID 3257099
CID 98398531
CID 98398531

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
The IUPAC name of (3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] (CID 18597827) is (3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane].
What is the SMILES notation for (3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
The canonical SMILES for (3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] is CC[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]1OCc1ccoc1.
What is the InChIKey of (3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
The InChIKey is HJRGXGUVCUNMPE-QKPAOTATSA-N. The full InChI is InChI=1S/C17H24O5/c1-2-13-14(19-11-12-6-9-18-10-12)15-16(20-13)22-17(21-15)7-4-3-5-8-17/h6,9-10,13-16H,2-5,7-8,11H2,1H3/t13-,14+,15-,16-/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
(3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] has a molecular weight of 308.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-5-ethyl-6-(furan-3-ylmethoxy)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] is sourced from PubChem (CID 18597827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).