(1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol

C15H22O3 — CID 10777084

IUPAC(1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol
SMILESCC1([C@@]23CCC[C@@H](C2)C2=C3CC[C@@H]2O)OCCO1
InChIInChI=1S/C15H22O3/c1-14(17-7-8-18-14)15-6-2-3-10(9-15)13-11(15)4-5-12(13)16/h10,12,16H,2-9H2,1H3/t10-,12-,15-/m0/s1
InChIKeyONHOAIZQGFSXGB-WBIUFABUSA-N
MW250.34 g/mol
LogP2.39
Rot. Bonds1

About (1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol

(1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol (PubChem CID 10777084) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol.

Molecular Properties

Compound Name(1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol
PubChem CID10777084
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol
SMILESCC1([C@@]23CCC[C@@H](C2)C2=C3CC[C@@H]2O)OCCO1
InChIInChI=1S/C15H22O3/c1-14(17-7-8-18-14)15-6-2-3-10(9-15)13-11(15)4-5-12(13)16/h10,12,16H,2-9H2,1H3/t10-,12-,15-/m0/s1
InChIKeyONHOAIZQGFSXGB-WBIUFABUSA-N
XLogP2.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol?
The IUPAC name of (1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol (CID 10777084) is (1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol.
What is the SMILES notation for (1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol?
The canonical SMILES for (1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol is CC1([C@@]23CCC[C@@H](C2)C2=C3CC[C@@H]2O)OCCO1.
What is the InChIKey of (1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol?
The InChIKey is ONHOAIZQGFSXGB-WBIUFABUSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(17-7-8-18-14)15-6-2-3-10(9-15)13-11(15)4-5-12(13)16/h10,12,16H,2-9H2,1H3/t10-,12-,15-/m0/s1.
What are the key properties of (1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol?
(1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol has a molecular weight of 250.34 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,7S)-7-(2-methyl-1,3-dioxolan-2-yl)tricyclo[5.3.1.02,6]undec-2(6)-en-3-ol is sourced from PubChem (CID 10777084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).