(1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol

C15H26O2 — CID 156582152

IUPAC(1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol
SMILESCC1(C)C[C@@H]2[C@@H]1CC[C@@]1(CO)CCC[C@]2(O)C1
InChIInChI=1S/C15H26O2/c1-13(2)8-12-11(13)4-7-14(10-16)5-3-6-15(12,17)9-14/h11-12,16-17H,3-10H2,1-2H3/t11-,12+,14-,15-/m0/s1
InChIKeyMCRFKFBFAWNDNX-NEBZKDRISA-N
MW238.37 g/mol
LogP2.73
Rot. Bonds1

About (1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol

(1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol (PubChem CID 156582152) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol.

Molecular Properties

Compound Name(1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol
PubChem CID156582152
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol
SMILESCC1(C)C[C@@H]2[C@@H]1CC[C@@]1(CO)CCC[C@]2(O)C1
InChIInChI=1S/C15H26O2/c1-13(2)8-12-11(13)4-7-14(10-16)5-3-6-15(12,17)9-14/h11-12,16-17H,3-10H2,1-2H3/t11-,12+,14-,15-/m0/s1
InChIKeyMCRFKFBFAWNDNX-NEBZKDRISA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol?
The IUPAC name of (1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol (CID 156582152) is (1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol.
What is the SMILES notation for (1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol?
The canonical SMILES for (1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol is CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(CO)CCC[C@]2(O)C1.
What is the InChIKey of (1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol?
The InChIKey is MCRFKFBFAWNDNX-NEBZKDRISA-N. The full InChI is InChI=1S/C15H26O2/c1-13(2)8-12-11(13)4-7-14(10-16)5-3-6-15(12,17)9-14/h11-12,16-17H,3-10H2,1-2H3/t11-,12+,14-,15-/m0/s1.
What are the key properties of (1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol?
(1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,8S)-8-(hydroxymethyl)-4,4-dimethyltricyclo[6.3.1.02,5]dodecan-1-ol is sourced from PubChem (CID 156582152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).