(1S,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol

C15H24O2 — CID 131855299

IUPAC(1S,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol
SMILESC=C1C2[C@@H](O)[C@@H]3[C@H]([C@@H]2O)[C@@]1(C)CC[C@@H]3C(C)C
InChIInChI=1S/C15H24O2/c1-7(2)9-5-6-15(4)8(3)10-13(16)11(9)12(15)14(10)17/h7,9-14,16-17H,3,5-6H2,1-2,4H3/t9-,10?,11+,12-,13-,14-,15+/m1/s1
InChIKeyJKWAVUHQXGRTII-OVHDBSAWSA-N
MW236.35 g/mol
LogP2.21
Rot. Bonds1

About (1S,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol

(1S,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol (PubChem CID 131855299) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol.

Molecular Properties

Compound Name(1S,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol
PubChem CID131855299
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol
SMILESC=C1C2[C@@H](O)[C@@H]3[C@H]([C@@H]2O)[C@@]1(C)CC[C@@H]3C(C)C
InChIInChI=1S/C15H24O2/c1-7(2)9-5-6-15(4)8(3)10-13(16)11(9)12(15)14(10)17/h7,9-14,16-17H,3,5-6H2,1-2,4H3/t9-,10?,11+,12-,13-,14-,15+/m1/s1
InChIKeyJKWAVUHQXGRTII-OVHDBSAWSA-N
XLogP2.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol?
The IUPAC name of (1S,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol (CID 131855299) is (1S,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol.
What is the SMILES notation for (1S,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol?
The canonical SMILES for (1S,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol is C=C1C2[C@@H](O)[C@@H]3[C@H]([C@@H]2O)[C@@]1(C)CC[C@@H]3C(C)C.
What is the InChIKey of (1S,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol?
The InChIKey is JKWAVUHQXGRTII-OVHDBSAWSA-N. The full InChI is InChI=1S/C15H24O2/c1-7(2)9-5-6-15(4)8(3)10-13(16)11(9)12(15)14(10)17/h7,9-14,16-17H,3,5-6H2,1-2,4H3/t9-,10?,11+,12-,13-,14-,15+/m1/s1.
What are the key properties of (1S,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol?
(1S,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol has a molecular weight of 236.35 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R,7R,8S,9S)-7-methyl-10-methylidene-4-propan-2-yltricyclo[5.2.1.03,8]decane-2,9-diol is sourced from PubChem (CID 131855299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).