(1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol

C15H26O3 — CID 139588324

IUPAC(1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol
SMILESCC(C)[C@@H]1C[C@H](O)[C@@]2(CO)[C@@H]3CC[C@](C)(O)[C@H]2[C@@H]31
InChIInChI=1S/C15H26O3/c1-8(2)9-6-11(17)15(7-16)10-4-5-14(3,18)13(15)12(9)10/h8-13,16-18H,4-7H2,1-3H3/t9-,10+,11-,12+,13+,14-,15+/m0/s1
InChIKeyBKMHRAKVPWZPND-KUBHYLHLSA-N
MW254.37 g/mol
LogP1.41
Rot. Bonds2

About (1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol

(1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol (PubChem CID 139588324) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol.

Molecular Properties

Compound Name(1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol
PubChem CID139588324
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol
SMILESCC(C)[C@@H]1C[C@H](O)[C@@]2(CO)[C@@H]3CC[C@](C)(O)[C@H]2[C@@H]31
InChIInChI=1S/C15H26O3/c1-8(2)9-6-11(17)15(7-16)10-4-5-14(3,18)13(15)12(9)10/h8-13,16-18H,4-7H2,1-3H3/t9-,10+,11-,12+,13+,14-,15+/m0/s1
InChIKeyBKMHRAKVPWZPND-KUBHYLHLSA-N
XLogP1.41
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol with MolForge

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Related Compounds

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trans-(2R,4R)-1-methyl-4-propan-2-ylcyclohexane-1,2-diol
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CID 14110902
(1R,2S,4aR,5R,8S,8aS)-2,5-dimethyl-8-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-1,5-diol
CID 21140311
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CID 15828236
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CID 154790342
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CID 130694777
(1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol
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CID 162915314

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol?
The IUPAC name of (1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol (CID 139588324) is (1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol.
What is the SMILES notation for (1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol?
The canonical SMILES for (1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol is CC(C)[C@@H]1C[C@H](O)[C@@]2(CO)[C@@H]3CC[C@](C)(O)[C@H]2[C@@H]31.
What is the InChIKey of (1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol?
The InChIKey is BKMHRAKVPWZPND-KUBHYLHLSA-N. The full InChI is InChI=1S/C15H26O3/c1-8(2)9-6-11(17)15(7-16)10-4-5-14(3,18)13(15)12(9)10/h8-13,16-18H,4-7H2,1-3H3/t9-,10+,11-,12+,13+,14-,15+/m0/s1.
What are the key properties of (1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol?
(1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol has a molecular weight of 254.37 g/mol, XLogP of 1.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,5S,6R,7S,8S)-2-(hydroxymethyl)-8-methyl-5-propan-2-yltricyclo[4.4.0.02,7]decane-3,8-diol is sourced from PubChem (CID 139588324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).