(2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol

C14H26O2 — CID 170528391

IUPAC(2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol
SMILESCC[C@H]1CCC2C[C@@H](C(C)C)C(O)C2C1O
InChIInChI=1S/C14H26O2/c1-4-9-5-6-10-7-11(8(2)3)14(16)12(10)13(9)15/h8-16H,4-7H2,1-3H3/t9-,10?,11-,12?,13?,14?/m0/s1
InChIKeyYVCQCPLNVOLQLO-XJVBYGGOSA-N
MW226.36 g/mol
LogP2.44
Rot. Bonds2

About (2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol

(2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol (PubChem CID 170528391) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol.

Molecular Properties

Compound Name(2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol
PubChem CID170528391
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol
SMILESCC[C@H]1CCC2C[C@@H](C(C)C)C(O)C2C1O
InChIInChI=1S/C14H26O2/c1-4-9-5-6-10-7-11(8(2)3)14(16)12(10)13(9)15/h8-16H,4-7H2,1-3H3/t9-,10?,11-,12?,13?,14?/m0/s1
InChIKeyYVCQCPLNVOLQLO-XJVBYGGOSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
(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)-2,7-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527257
(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
(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
3-ethyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 163871829
2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 142876945
(2R)-2,7-di(pentan-3-yl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527872
2,5-di(propan-2-yl)bicyclo[2.2.2]octane
CID 140828495
cis-(1R,2S)-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 162463333
(2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol
CID 170528430

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol?
The IUPAC name of (2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol (CID 170528391) is (2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol.
What is the SMILES notation for (2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol?
The canonical SMILES for (2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol is CC[C@H]1CCC2C[C@@H](C(C)C)C(O)C2C1O.
What is the InChIKey of (2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol?
The InChIKey is YVCQCPLNVOLQLO-XJVBYGGOSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-9-5-6-10-7-11(8(2)3)14(16)12(10)13(9)15/h8-16H,4-7H2,1-3H3/t9-,10?,11-,12?,13?,14?/m0/s1.
What are the key properties of (2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol?
(2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol has a molecular weight of 226.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-ethyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol is sourced from PubChem (CID 170528391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).