(2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol

C14H26O2 — CID 170527884

IUPAC(2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
SMILESCC[C@@H]1CC2CCC[C@H](CC)C(O)C2C1O
InChIInChI=1S/C14H26O2/c1-3-9-6-5-7-11-8-10(4-2)14(16)12(11)13(9)15/h9-16H,3-8H2,1-2H3/t9-,10+,11?,12?,13?,14?/m0/s1
InChIKeyPWYJCSXIZKBHBL-FWRDVMAHSA-N
MW226.36 g/mol
LogP2.58
Rot. Bonds2

About (2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol

(2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol (PubChem CID 170527884) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol.

Molecular Properties

Compound Name(2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
PubChem CID170527884
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
SMILESCC[C@@H]1CC2CCC[C@H](CC)C(O)C2C1O
InChIInChI=1S/C14H26O2/c1-3-9-6-5-7-11-8-10(4-2)14(16)12(11)13(9)15/h9-16H,3-8H2,1-2H3/t9-,10+,11?,12?,13?,14?/m0/s1
InChIKeyPWYJCSXIZKBHBL-FWRDVMAHSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol with MolForge

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Related Compounds

(2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527722
(2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol
CID 170528487
(2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol
CID 170528391
2-ethyl-6-propan-2-ylcyclohexan-1-ol
CID 58534394
(2R)-2,7-di(pentan-3-yl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527872
ethane;2-ethylcyclopentan-1-ol
CID 144624771
2-(2-methylpropyl)-1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene-1,10-diol
CID 170527501
(1S,4aR,8aR)-1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 165360268
3-ethyltricyclo[4.3.1.12,5]undecane
CID 163995336
(2R)-2,7-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527257
(1R,5R)-2-ethylbicyclo[3.3.1]nonane
CID 143508540
ethane;2-ethyl-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143769708

Frequently Asked Questions

What is the IUPAC name of (2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol?
The IUPAC name of (2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol (CID 170527884) is (2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol.
What is the SMILES notation for (2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol?
The canonical SMILES for (2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol is CC[C@@H]1CC2CCC[C@H](CC)C(O)C2C1O.
What is the InChIKey of (2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol?
The InChIKey is PWYJCSXIZKBHBL-FWRDVMAHSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-9-6-5-7-11-8-10(4-2)14(16)12(11)13(9)15/h9-16H,3-8H2,1-2H3/t9-,10+,11?,12?,13?,14?/m0/s1.
What are the key properties of (2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol?
(2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol has a molecular weight of 226.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol is sourced from PubChem (CID 170527884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).