[2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol

C13H22O4 — CID 175113280

IUPAC[2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol
SMILESCC1(C)O[C@H]2O[C@H](C3CCCC3CO)C[C@H]2O1
InChIInChI=1S/C13H22O4/c1-13(2)16-11-6-10(15-12(11)17-13)9-5-3-4-8(9)7-14/h8-12,14H,3-7H2,1-2H3/t8?,9?,10-,11+,12+/m0/s1
InChIKeyVTUNJZWRPZMKHB-JEDMMJBGSA-N
MW242.31 g/mol
LogP1.66
Rot. Bonds2

About [2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol

[2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol (PubChem CID 175113280) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is [2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol
PubChem CID175113280
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name[2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol
SMILESCC1(C)O[C@H]2O[C@H](C3CCCC3CO)C[C@H]2O1
InChIInChI=1S/C13H22O4/c1-13(2)16-11-6-10(15-12(11)17-13)9-5-3-4-8(9)7-14/h8-12,14H,3-7H2,1-2H3/t8?,9?,10-,11+,12+/m0/s1
InChIKeyVTUNJZWRPZMKHB-JEDMMJBGSA-N
XLogP1.66
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol?
The IUPAC name of [2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol (CID 175113280) is [2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol.
What is the SMILES notation for [2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol?
The canonical SMILES for [2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol is CC1(C)O[C@H]2O[C@H](C3CCCC3CO)C[C@H]2O1.
What is the InChIKey of [2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol?
The InChIKey is VTUNJZWRPZMKHB-JEDMMJBGSA-N. The full InChI is InChI=1S/C13H22O4/c1-13(2)16-11-6-10(15-12(11)17-13)9-5-3-4-8(9)7-14/h8-12,14H,3-7H2,1-2H3/t8?,9?,10-,11+,12+/m0/s1.
What are the key properties of [2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol?
[2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol has a molecular weight of 242.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]cyclopentyl]methanol is sourced from PubChem (CID 175113280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).