(3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol

C15H24O3 — CID 139584206

IUPAC(3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol
SMILESC=C1C2C(O)[C@H]3[C@@H](C(C)(C)O)CCC1(C)[C@H]3C2O
InChIInChI=1S/C15H24O3/c1-7-9-12(16)10-8(14(2,3)18)5-6-15(7,4)11(10)13(9)17/h8-13,16-18H,1,5-6H2,2-4H3/t8-,9?,10-,11+,12?,13?,15?/m0/s1
InChIKeyZAMMUPBTBWXWKL-CVSQCXRCSA-N
MW252.35 g/mol
LogP1.33
Rot. Bonds1

About (3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol

(3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol (PubChem CID 139584206) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol.

Molecular Properties

Compound Name(3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol
PubChem CID139584206
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol
SMILESC=C1C2C(O)[C@H]3[C@@H](C(C)(C)O)CCC1(C)[C@H]3C2O
InChIInChI=1S/C15H24O3/c1-7-9-12(16)10-8(14(2,3)18)5-6-15(7,4)11(10)13(9)17/h8-13,16-18H,1,5-6H2,2-4H3/t8-,9?,10-,11+,12?,13?,15?/m0/s1
InChIKeyZAMMUPBTBWXWKL-CVSQCXRCSA-N
XLogP1.33
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.33
H-Bond Donors ≤ 53
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 (3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol?
The IUPAC name of (3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol (CID 139584206) is (3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol.
What is the SMILES notation for (3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol?
The canonical SMILES for (3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol is C=C1C2C(O)[C@H]3[C@@H](C(C)(C)O)CCC1(C)[C@H]3C2O.
What is the InChIKey of (3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol?
The InChIKey is ZAMMUPBTBWXWKL-CVSQCXRCSA-N. The full InChI is InChI=1S/C15H24O3/c1-7-9-12(16)10-8(14(2,3)18)5-6-15(7,4)11(10)13(9)17/h8-13,16-18H,1,5-6H2,2-4H3/t8-,9?,10-,11+,12?,13?,15?/m0/s1.
What are the key properties of (3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol?
(3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol has a molecular weight of 252.35 g/mol, XLogP of 1.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,8S)-4-(2-hydroxypropan-2-yl)-7-methyl-10-methylidenetricyclo[5.2.1.03,8]decane-2,9-diol is sourced from PubChem (CID 139584206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).