7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane

C22H32O2 — CID 14220126

IUPAC7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane
SMILESCC(C)(C)OC1C2C3C4C1C1C2C2C5C(OC(C)(C)C)C(C32)C4C51
InChIInChI=1S/C22H32O2/c1-21(2,3)23-19-15-7-8-12-14-10(16(8)19)9(15)13-11(7)17(12)20(18(13)14)24-22(4,5)6/h7-20H,1-6H3
InChIKeyBJIMQTMBYLNFOX-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.84
Rot. Bonds2

About 7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane

7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane (PubChem CID 14220126) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane.

Molecular Properties

Compound Name7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane
PubChem CID14220126
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane
SMILESCC(C)(C)OC1C2C3C4C1C1C2C2C5C(OC(C)(C)C)C(C32)C4C51
InChIInChI=1S/C22H32O2/c1-21(2,3)23-19-15-7-8-12-14-10(16(8)19)9(15)13-11(7)17(12)20(18(13)14)24-22(4,5)6/h7-20H,1-6H3
InChIKeyBJIMQTMBYLNFOX-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R,2S,3S,4R,5S,6S,7S)-5-[(2-methylpropan-2-yl)oxy]-8-tetracyclo[4.3.0.02,4.03,7]nonanyl]propan-2-ol
CID 135045879
(1R,2R,3S,5R,7R)-5-[(2-methylpropan-2-yl)oxy]tetracyclo[4.3.0.02,4.03,7]nonane-8,8,9,9-tetracarbonitrile
CID 98044613
9-[[12-[(2-methylpropan-2-yl)oxy]-7-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecanyl]methyl]-9-borabicyclo[3.3.1]nonane
CID 10430477
trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane
CID 66800520
9-[(2-methylpropan-2-yl)oxy]-3,4-diazatricyclo[4.2.1.02,5]nona-3,7-diene
CID 86089939
(1R,2R,4S,7S)-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]heptan-2-ol
CID 131019242
(4R,5R)-4,5-dicyclohexyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxaborolane
CID 11573121
2-[(2-methylpropan-2-yl)oxy]-1,3-dioxolane
CID 23262085
1,1-dimethyl-3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-ium
CID 176587020
3-[(2-methylpropan-2-yl)oxy]thietane 1,1-dioxide
CID 171454190
1-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclobutane
CID 171055813
(3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 139315398

Frequently Asked Questions

What is the IUPAC name of 7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane?
The IUPAC name of 7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane (CID 14220126) is 7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane.
What is the SMILES notation for 7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane?
The canonical SMILES for 7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane is CC(C)(C)OC1C2C3C4C1C1C2C2C5C(OC(C)(C)C)C(C32)C4C51.
What is the InChIKey of 7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane?
The InChIKey is BJIMQTMBYLNFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2/c1-21(2,3)23-19-15-7-8-12-14-10(16(8)19)9(15)13-11(7)17(12)20(18(13)14)24-22(4,5)6/h7-20H,1-6H3.
What are the key properties of 7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane?
7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane has a molecular weight of 328.50 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-bis[(2-methylpropan-2-yl)oxy]heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane is sourced from PubChem (CID 14220126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).