cis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol

C20H30O5 — CID 58952628

IUPACcis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol
SMILESC[C@]1(CO)C(C2CCC3=CC4(CCC3=C2CO)OCCO4)CC[C@@H]1O
InChIInChI=1S/C20H30O5/c1-19(12-22)17(4-5-18(19)23)15-3-2-13-10-20(24-8-9-25-20)7-6-14(13)16(15)11-21/h10,15,17-18,21-23H,2-9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1
InChIKeyVVRNBNGGTMLPTP-FYOYPEGLSA-N
MW350.46 g/mol
LogP1.92
Rot. Bonds3

About cis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol

cis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol (PubChem CID 58952628) has the molecular formula C20H30O5 and a molecular weight of 350.46 g/mol. Its IUPAC name is cis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol
PubChem CID58952628
Molecular FormulaC20H30O5
Molecular Weight350.46 g/mol
Exact Mass350.21
IUPAC Namecis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol
SMILESC[C@]1(CO)C(C2CCC3=CC4(CCC3=C2CO)OCCO4)CC[C@@H]1O
InChIInChI=1S/C20H30O5/c1-19(12-22)17(4-5-18(19)23)15-3-2-13-10-20(24-8-9-25-20)7-6-14(13)16(15)11-21/h10,15,17-18,21-23H,2-9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1
InChIKeyVVRNBNGGTMLPTP-FYOYPEGLSA-N
XLogP1.92
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol?
The IUPAC name of cis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol (CID 58952628) is cis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol is C[C@]1(CO)C(C2CCC3=CC4(CCC3=C2CO)OCCO4)CC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol?
The InChIKey is VVRNBNGGTMLPTP-FYOYPEGLSA-N. The full InChI is InChI=1S/C20H30O5/c1-19(12-22)17(4-5-18(19)23)15-3-2-13-10-20(24-8-9-25-20)7-6-14(13)16(15)11-21/h10,15,17-18,21-23H,2-9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol?
cis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol has a molecular weight of 350.46 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(hydroxymethyl)-3-[1'-(hydroxymethyl)spiro[1,3-dioxolane-2,6'-3,4,7,8-tetrahydro-2H-naphthalene]-2'-yl]-2-methylcyclopentan-1-ol is sourced from PubChem (CID 58952628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).