(4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol

C18H30O3 — CID 747680

IUPAC(4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol
SMILESO[C@]12CCCC[C@H]1C1(CCCCC1)O[C@@]1(O)CCCC[C@H]21
InChIInChI=1S/C18H30O3/c19-17-12-6-2-8-14(17)16(10-4-1-5-11-16)21-18(20)13-7-3-9-15(17)18/h14-15,19-20H,1-13H2/t14-,15+,17+,18-/m0/s1
InChIKeyGATCEJCAKDSFNO-IDCNUPLLSA-N
MW294.44 g/mol
LogP3.52
Rot. Bonds

About (4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol

(4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol (PubChem CID 747680) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol.

Molecular Properties

Compound Name(4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol
PubChem CID747680
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol
SMILESO[C@]12CCCC[C@H]1C1(CCCCC1)O[C@@]1(O)CCCC[C@H]21
InChIInChI=1S/C18H30O3/c19-17-12-6-2-8-14(17)16(10-4-1-5-11-16)21-18(20)13-7-3-9-15(17)18/h14-15,19-20H,1-13H2/t14-,15+,17+,18-/m0/s1
InChIKeyGATCEJCAKDSFNO-IDCNUPLLSA-N
XLogP3.52
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol with MolForge

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Related Compounds

(4aR,6aR,10aS,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol
CID 1281811
7-oxabicyclo[4.1.0]heptan-1-ol
CID 12599618
(3R,3aS,7aR)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3,3a-diol
CID 10964782
(2R)-2-[(1R,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one
CID 124723974
(2S)-2-[(1S,2S)-1-hydroxy-2-(1-hydroxycyclohexyl)cyclohexyl]cyclohexan-1-one
CID 6545665
5-nitrospiro[1,2,3,4,5,6,7,8a-octahydronaphthalene-8,2'-1,3-dioxolane]-4a-ol
CID 559734
(1S,6R,9R)-13-oxatricyclo[7.3.1.01,6]tridecan-9-ol
CID 15828396
trans-(1S,2S)-2-cyclohexyl-2-hydroxycyclohexane-1-carboxylic acid
CID 102532516
1-oxaspiro[5.5]undecan-11-ol
CID 69392634
1-cyclohexyl-2-methylcyclohexan-1-ol
CID 43809284
(1S,8S)-1-hydroxybicyclo[6.3.1]dodecan-12-one
CID 10997937
(1R,7S,9R)-9-(benzenesulfonyl)bicyclo[5.2.0]nonan-1-ol
CID 10934846

Frequently Asked Questions

What is the IUPAC name of (4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol?
The IUPAC name of (4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol (CID 747680) is (4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol.
What is the SMILES notation for (4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol?
The canonical SMILES for (4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol is O[C@]12CCCC[C@H]1C1(CCCCC1)O[C@@]1(O)CCCC[C@H]21.
What is the InChIKey of (4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol?
The InChIKey is GATCEJCAKDSFNO-IDCNUPLLSA-N. The full InChI is InChI=1S/C18H30O3/c19-17-12-6-2-8-14(17)16(10-4-1-5-11-16)21-18(20)13-7-3-9-15(17)18/h14-15,19-20H,1-13H2/t14-,15+,17+,18-/m0/s1.
What are the key properties of (4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol?
(4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol has a molecular weight of 294.44 g/mol, XLogP of 3.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6aR,10aR,10bR)-spiro[1,2,3,4,6a,7,8,9,10,10b-decahydrobenzo[c]chromene-6,1'-cyclohexane]-4a,10a-diol is sourced from PubChem (CID 747680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).