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

C15H28O2 — CID 170527722

IUPAC(2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
SMILESCC[C@H]1CCCC2C[C@H](C(C)C)C(O)C2C1O
InChIInChI=1S/C15H28O2/c1-4-10-6-5-7-11-8-12(9(2)3)15(17)13(11)14(10)16/h9-17H,4-8H2,1-3H3/t10-,11?,12+,13?,14?,15?/m0/s1
InChIKeyRMVDZJZVFSRZDH-KZPVWEGESA-N
MW240.39 g/mol
LogP2.83
Rot. Bonds2

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

(2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol (PubChem CID 170527722) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol.

Molecular Properties

Compound Name(2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
PubChem CID170527722
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
SMILESCC[C@H]1CCCC2C[C@H](C(C)C)C(O)C2C1O
InChIInChI=1S/C15H28O2/c1-4-10-6-5-7-11-8-12(9(2)3)15(17)13(11)14(10)16/h9-17H,4-8H2,1-3H3/t10-,11?,12+,13?,14?,15?/m0/s1
InChIKeyRMVDZJZVFSRZDH-KZPVWEGESA-N
XLogP2.83
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol
CID 170528391
(2R)-2,7-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527257
(2R,7S)-2,7-diethyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527884
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
2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142876945
2-(2-methylpropyl)-1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene-1,10-diol
CID 170527501
(2S,7R)-7-hexan-3-yl-2-pentan-3-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527310
(2R,7S)-2-propan-2-yl-7-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol
CID 170527496
(2R,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol;iridium;3-phenylisoquinoline
CID 170528316
3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 163871829
1-[(2S)-butan-2-yl]-2-ethylcyclopentane
CID 146934548

Frequently Asked Questions

What is the IUPAC name of (2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol?
The IUPAC name of (2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol (CID 170527722) is (2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol.
What is the SMILES notation for (2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol?
The canonical SMILES for (2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol is CC[C@H]1CCCC2C[C@H](C(C)C)C(O)C2C1O.
What is the InChIKey of (2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol?
The InChIKey is RMVDZJZVFSRZDH-KZPVWEGESA-N. The full InChI is InChI=1S/C15H28O2/c1-4-10-6-5-7-11-8-12(9(2)3)15(17)13(11)14(10)16/h9-17H,4-8H2,1-3H3/t10-,11?,12+,13?,14?,15?/m0/s1.
What are the key properties of (2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol?
(2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol has a molecular weight of 240.39 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol is sourced from PubChem (CID 170527722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).