1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde

C15H26O2 — CID 141410341

IUPAC1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde
SMILESCC1CCC2C(C)(C)CCCC2(C)C1(O)C=O
InChIInChI=1S/C15H26O2/c1-11-6-7-12-13(2,3)8-5-9-14(12,4)15(11,17)10-16/h10-12,17H,5-9H2,1-4H3
InChIKeyKFZYOHZUMJMLBQ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.18
Rot. Bonds1

About 1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde

1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde (PubChem CID 141410341) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde
PubChem CID141410341
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde
SMILESCC1CCC2C(C)(C)CCCC2(C)C1(O)C=O
InChIInChI=1S/C15H26O2/c1-11-6-7-12-13(2,3)8-5-9-14(12,4)15(11,17)10-16/h10-12,17H,5-9H2,1-4H3
InChIKeyKFZYOHZUMJMLBQ-UHFFFAOYSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(4R,4aS,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 11322384
Diaporol D
CID 15098673
Eutyscoparin E
CID 164611525
(1S,4aS,7R,8aS)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
CID 15601420
Uvidin D
CID 101293625
(3S)-5-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanal
CID 46837459
(4aS,8S,8aR)-8-hydroxy-4a,8-dimethyl-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-one
CID 101611687
Eutyperemophilane F
CID 156581654
Eutyperemophilane G
CID 156581655
Eutyperemophilane H
CID 156581656
Eutyperemophilane S
CID 156581667
Eutyperemophilane T
CID 156581668

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde?
The IUPAC name of 1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde (CID 141410341) is 1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde.
What is the SMILES notation for 1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde?
The canonical SMILES for 1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde is CC1CCC2C(C)(C)CCCC2(C)C1(O)C=O.
What is the InChIKey of 1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde?
The InChIKey is KFZYOHZUMJMLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-6-7-12-13(2,3)8-5-9-14(12,4)15(11,17)10-16/h10-12,17H,5-9H2,1-4H3.
What are the key properties of 1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde?
1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde has a molecular weight of 238.37 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 141410341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).