CID 59886608

C16H27O — CID 59886608

IUPAC—
SMILESCC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)O[CH]C[C@@H]12
InChIInChI=1S/C16H27O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h11-13H,5-10H2,1-4H3/t12?,13-,15+,16-/m1/s1
InChIKeyQGJHIYWUYSVCPI-BHUMPYGKSA-N
MW235.39 g/mol
LogP4.57
Rot. Bonds

About CID 59886608

CID 59886608 (PubChem CID 59886608) has the molecular formula C16H27O and a molecular weight of 235.39 g/mol.

Molecular Properties

Compound NameCID 59886608
PubChem CID59886608
Molecular FormulaC16H27O
Molecular Weight235.39 g/mol
Exact Mass235.21
IUPAC Name—
SMILESCC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)O[CH]C[C@@H]12
InChIInChI=1S/C16H27O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h11-13H,5-10H2,1-4H3/t12?,13-,15+,16-/m1/s1
InChIKeyQGJHIYWUYSVCPI-BHUMPYGKSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene
CID 7057250
(4aR,10aS,10bR)-3,3,4a,7,7,10a-hexamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
CID 134865617
(3aR,9aS,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 11107366
(3aS,5aS,9aR,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 12838595
(4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
CID 15600013
3,4a,7,7,10a-pentamethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
CID 619276
(3R,4aR,6aS,10aS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
CID 134450924
(3S,4aS,10aR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
CID 10039893
(3S,4aR,6aR,10aR,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
CID 11872219
1-[(9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]ethanone
CID 59886602
(4aR,6aS,10aS,10bR)-4a,7,7,10a-tetramethyl-1,5,6,6a,8,9,10,10b-octahydronaphtho[2,1-d][1,3]dioxin-3-one
CID 71580669
2-[(3R,4aS,6aR,10aR,10bS)-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]acetaldehyde
CID 101063633

Frequently Asked Questions

What is the IUPAC name of CID 59886608?
The IUPAC name of CID 59886608 (CID 59886608) is not available.
What is the SMILES notation for CID 59886608?
The canonical SMILES for CID 59886608 is CC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)O[CH]C[C@@H]12.
What is the InChIKey of CID 59886608?
The InChIKey is QGJHIYWUYSVCPI-BHUMPYGKSA-N. The full InChI is InChI=1S/C16H27O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h11-13H,5-10H2,1-4H3/t12?,13-,15+,16-/m1/s1.
What are the key properties of CID 59886608?
CID 59886608 has a molecular weight of 235.39 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59886608 is sourced from PubChem (CID 59886608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).