(2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol

C24H46O2 — CID 170528430

IUPAC(2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol
SMILESCC(C)C(C(C)C)[C@H]1CCC2CC[C@H](C(C(C)C)C(C)C)C(O)C2C1O
InChIInChI=1S/C24H46O2/c1-13(2)20(14(3)4)18-11-9-17-10-12-19(21(15(5)6)16(7)8)24(26)22(17)23(18)25/h13-26H,9-12H2,1-8H3/t17?,18-,19-,22?,23?,24?/m1/s1
InChIKeySFIAABSQCJBKOB-XVNOGGKNSA-N
MW366.63 g/mol
LogP5.62
Rot. Bonds6

About (2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol

(2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol (PubChem CID 170528430) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is (2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol.

Molecular Properties

Compound Name(2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol
PubChem CID170528430
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name(2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol
SMILESCC(C)C(C(C)C)[C@H]1CCC2CC[C@H](C(C(C)C)C(C)C)C(O)C2C1O
InChIInChI=1S/C24H46O2/c1-13(2)20(14(3)4)18-11-9-17-10-12-19(21(15(5)6)16(7)8)24(26)22(17)23(18)25/h13-26H,9-12H2,1-8H3/t17?,18-,19-,22?,23?,24?/m1/s1
InChIKeySFIAABSQCJBKOB-XVNOGGKNSA-N
XLogP5.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol with MolForge

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Related Compounds

(2R,7S)-2-propan-2-yl-7-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol
CID 170527496
2-pentan-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol
CID 170527852
(2R)-2,7-di(propan-2-yl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527257
(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(pentan-3-yl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527872
2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane
CID 130526320
(1R,2S,3R)-3-[(1S)-1-hydroxyethyl]cyclopentane-1,2-diol
CID 57379190
(2R,7S)-7-ethyl-2-propan-2-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527722
3-(1-cyclohexylethyl)-1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene
CID 91349857
3-cyclopropylbicyclo[2.2.1]heptan-2-ol
CID 123278941
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
tetracyclo[6.2.2.23,6.02,7]tetradecane
CID 14196498

Frequently Asked Questions

What is the IUPAC name of (2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol?
The IUPAC name of (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) is (2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol.
What is the SMILES notation for (2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol?
The canonical SMILES for (2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol is CC(C)C(C(C)C)[C@H]1CCC2CC[C@H](C(C(C)C)C(C)C)C(O)C2C1O.
What is the InChIKey of (2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol?
The InChIKey is SFIAABSQCJBKOB-XVNOGGKNSA-N. The full InChI is InChI=1S/C24H46O2/c1-13(2)20(14(3)4)18-11-9-17-10-12-19(21(15(5)6)16(7)8)24(26)22(17)23(18)25/h13-26H,9-12H2,1-8H3/t17?,18-,19-,22?,23?,24?/m1/s1.
What are the key properties of (2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol?
(2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol has a molecular weight of 366.63 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol is sourced from PubChem (CID 170528430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).