[6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol

C18H28O4 — CID 70293390

IUPAC[6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol
SMILESOCOC1=C2CC(C3CCCCC3)CCC2C(OCO)C=C1
InChIInChI=1S/C18H28O4/c19-11-21-17-8-9-18(22-12-20)16-10-14(6-7-15(16)17)13-4-2-1-3-5-13/h8-9,13-15,17,19-20H,1-7,10-12H2
InChIKeyHFEHQLVRDICXDS-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.11
Rot. Bonds5

About [6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol

[6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol (PubChem CID 70293390) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is [6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol.

Molecular Properties

Compound Name[6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol
PubChem CID70293390
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name[6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol
SMILESOCOC1=C2CC(C3CCCCC3)CCC2C(OCO)C=C1
InChIInChI=1S/C18H28O4/c19-11-21-17-8-9-18(22-12-20)16-10-14(6-7-15(16)17)13-4-2-1-3-5-13/h8-9,13-15,17,19-20H,1-7,10-12H2
InChIKeyHFEHQLVRDICXDS-UHFFFAOYSA-N
XLogP3.11
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol?
The IUPAC name of [6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol (CID 70293390) is [6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol.
What is the SMILES notation for [6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol?
The canonical SMILES for [6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol is OCOC1=C2CC(C3CCCCC3)CCC2C(OCO)C=C1.
What is the InChIKey of [6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol?
The InChIKey is HFEHQLVRDICXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c19-11-21-17-8-9-18(22-12-20)16-10-14(6-7-15(16)17)13-4-2-1-3-5-13/h8-9,13-15,17,19-20H,1-7,10-12H2.
What are the key properties of [6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol?
[6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol has a molecular weight of 308.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclohexyl-4-(hydroxymethoxy)-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]oxymethanol is sourced from PubChem (CID 70293390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).