2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane

C19H30O2 — CID 23560999

IUPAC2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane
SMILESCC1C(C)C2CC1C1C3CC(CC4OCCCO4)C(C3)C21
InChIInChI=1S/C19H30O2/c1-10-11(2)15-9-14(10)18-13-6-12(16(7-13)19(15)18)8-17-20-4-3-5-21-17/h10-19H,3-9H2,1-2H3
InChIKeyYDNRUVGBWZYGRE-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.95
Rot. Bonds2

About 2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane

2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane (PubChem CID 23560999) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane
PubChem CID23560999
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane
SMILESCC1C(C)C2CC1C1C3CC(CC4OCCCO4)C(C3)C21
InChIInChI=1S/C19H30O2/c1-10-11(2)15-9-14(10)18-13-6-12(16(7-13)19(15)18)8-17-20-4-3-5-21-17/h10-19H,3-9H2,1-2H3
InChIKeyYDNRUVGBWZYGRE-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze 2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane with MolForge

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Related Compounds

2-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)acetic acid
CID 122451932
4,5-dimethyl-9-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;ethane
CID 91071116
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol
CID 23560908
2-[(2,4-diethylcyclopentyl)methyl]-1,3-dioxane
CID 23560940
4,5,11,12-tetramethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
CID 23600006
9-ethyl-4-methyl-5-pentyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 169052624
actinium;bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-1-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol);bis(6-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-(1,3-dioxan-2-yl)hexan-3-ol);bis(1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-5-(1,3-dioxan-2-yl)pentan-1-ol);bis(1-(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)-3-(2-methyl-1,3-dioxan-2-yl)propan-1-ol)
CID 158040391
oxan-2-yl 2-(4-hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-enyl)acetate
CID 139796912
2-(2-bicyclo[3.3.1]nonanylmethyl)-1,3-dioxane
CID 139405944
4,5-dimethyl-9-[3,3,3-trifluoro-2-(2-methoxyethoxymethoxy)-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane
CID 20743946
9-[2-[1-(2-cyclohexylethoxy)ethoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-4,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 20771666
4-[3-(4-pentacyclo[6.5.1.13,6.02,7.09,13]pentadecanyl)propyl]pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 163823872

Frequently Asked Questions

What is the IUPAC name of 2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane?
The IUPAC name of 2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane (CID 23560999) is 2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane.
What is the SMILES notation for 2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane?
The canonical SMILES for 2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane is CC1C(C)C2CC1C1C3CC(CC4OCCCO4)C(C3)C21.
What is the InChIKey of 2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane?
The InChIKey is YDNRUVGBWZYGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-10-11(2)15-9-14(10)18-13-6-12(16(7-13)19(15)18)8-17-20-4-3-5-21-17/h10-19H,3-9H2,1-2H3.
What are the key properties of 2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane?
2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane has a molecular weight of 290.45 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)methyl]-1,3-dioxane is sourced from PubChem (CID 23560999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).