(1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol

C10H14O3 — CID 46886737

IUPAC(1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
SMILESC=C1[C@H]2OC[C@H]3[C@@H]1C[C@H](O)[C@@]3(C)O2
InChIInChI=1S/C10H14O3/c1-5-6-3-8(11)10(2)7(6)4-12-9(5)13-10/h6-9,11H,1,3-4H2,2H3/t6-,7+,8+,9+,10+/m1/s1
InChIKeyULRBKGCIGBUVLG-MBGOZMDMSA-N
MW182.22 g/mol
LogP0.68
Rot. Bonds

About (1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol

(1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol (PubChem CID 46886737) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol.

Molecular Properties

Compound Name(1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
PubChem CID46886737
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
SMILESC=C1[C@H]2OC[C@H]3[C@@H]1C[C@H](O)[C@@]3(C)O2
InChIInChI=1S/C10H14O3/c1-5-6-3-8(11)10(2)7(6)4-12-9(5)13-10/h6-9,11H,1,3-4H2,2H3/t6-,7+,8+,9+,10+/m1/s1
InChIKeyULRBKGCIGBUVLG-MBGOZMDMSA-N
XLogP0.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.68
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,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol?
The IUPAC name of (1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol (CID 46886737) is (1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol.
What is the SMILES notation for (1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol?
The canonical SMILES for (1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol is C=C1[C@H]2OC[C@H]3[C@@H]1C[C@H](O)[C@@]3(C)O2.
What is the InChIKey of (1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol?
The InChIKey is ULRBKGCIGBUVLG-MBGOZMDMSA-N. The full InChI is InChI=1S/C10H14O3/c1-5-6-3-8(11)10(2)7(6)4-12-9(5)13-10/h6-9,11H,1,3-4H2,2H3/t6-,7+,8+,9+,10+/m1/s1.
What are the key properties of (1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol?
(1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol has a molecular weight of 182.22 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S,6S,7R)-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol is sourced from PubChem (CID 46886737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).