11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane

C14H20O — CID 148710272

IUPAC11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane
SMILESCC12CCCC13C1CC1C3C1CCOC12
InChIInChI=1S/C14H20O/c1-13-4-2-5-14(13)10-7-9(10)11(14)8-3-6-15-12(8)13/h8-12H,2-7H2,1H3
InChIKeyNXCACLLHCLDGGD-UHFFFAOYSA-N
MW204.31 g/mol
LogP2.85
Rot. Bonds

About 11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane

11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane (PubChem CID 148710272) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane.

Molecular Properties

Compound Name11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane
PubChem CID148710272
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane
SMILESCC12CCCC13C1CC1C3C1CCOC12
InChIInChI=1S/C14H20O/c1-13-4-2-5-14(13)10-7-9(10)11(14)8-3-6-15-12(8)13/h8-12H,2-7H2,1H3
InChIKeyNXCACLLHCLDGGD-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594925
(1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 95396411
N-[[1-(dimethylamino)cyclobutyl]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 105415734
7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906414
(1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol
CID 99952296
8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 54595224
(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 95241136
7,7-dimethyl-N-[(1-methylcyclopentyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865667
N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872035
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)hydroxylamine
CID 82685302
N-(3-methylcyclobutyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-amine
CID 115906391
8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine
CID 115824648

Frequently Asked Questions

What is the IUPAC name of 11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane?
The IUPAC name of 11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane (CID 148710272) is 11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane.
What is the SMILES notation for 11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane?
The canonical SMILES for 11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane is CC12CCCC13C1CC1C3C1CCOC12.
What is the InChIKey of 11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane?
The InChIKey is NXCACLLHCLDGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-13-4-2-5-14(13)10-7-9(10)11(14)8-3-6-15-12(8)13/h8-12H,2-7H2,1H3.
What are the key properties of 11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane?
11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane has a molecular weight of 204.31 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane is sourced from PubChem (CID 148710272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).