12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane

C19H24 — CID 123671310

IUPAC12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane
SMILESCC12C3CC1C1C(C3)C34CC(C13)C13CC2CC1C4C3
InChIInChI=1S/C19H24/c1-17-8-2-11(17)15-12(3-8)19-7-14(16(15)19)18-5-9(17)4-10(18)13(19)6-18/h8-16H,2-7H2,1H3
InChIKeyBUKYGUXDYPTYNW-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.96
Rot. Bonds

About 12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane

12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane (PubChem CID 123671310) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane.

Molecular Properties

Compound Name12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane
PubChem CID123671310
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane
SMILESCC12C3CC1C1C(C3)C34CC(C13)C13CC2CC1C4C3
InChIInChI=1S/C19H24/c1-17-8-2-11(17)15-12(3-8)19-7-14(16(15)19)18-5-9(17)4-10(18)13(19)6-18/h8-16H,2-7H2,1H3
InChIKeyBUKYGUXDYPTYNW-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane with MolForge

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Related Compounds

3-methyltetracyclo[4.2.0.01,7.03,5]octane
CID 163557052
1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037
11,11-dimethyltetracyclo[5.3.1.03,9.05,9]undecane
CID 162243036
9-methylhexacyclo[6.4.1.13,6.01,11.02,7.08,10]tetradecane
CID 91101429
9,10,11-trimethylpentacyclo[6.3.1.01,7.02,6.04,10]dodecane
CID 123902270
(1R)-tetracyclo[4.2.0.01,7.03,5]octane
CID 148765284
2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-ol
CID 57351268
7-methyltricyclo[3.3.1.03,9]nonan-7-amine
CID 152844256
6-methyltricyclo[2.2.1.01,3]heptane
CID 123381875
pentacyclo[5.4.1.01,3.05,9.08,11]dodecane
CID 139773334
6-methyltetracyclo[4.3.0.02,5.02,8]nonane
CID 123208893
(1R,3S,7R)-4-methyltricyclo[5.1.0.01,3]octane
CID 163918664

Frequently Asked Questions

What is the IUPAC name of 12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane?
The IUPAC name of 12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane (CID 123671310) is 12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane.
What is the SMILES notation for 12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane?
The canonical SMILES for 12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane is CC12C3CC1C1C(C3)C34CC(C13)C13CC2CC1C4C3.
What is the InChIKey of 12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane?
The InChIKey is BUKYGUXDYPTYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-17-8-2-11(17)15-12(3-8)19-7-14(16(15)19)18-5-9(17)4-10(18)13(19)6-18/h8-16H,2-7H2,1H3.
What are the key properties of 12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane?
12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane has a molecular weight of 252.40 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyloctacyclo[11.4.1.01,15.02,5.04,7.04,16.06,11.09,12]octadecane is sourced from PubChem (CID 123671310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).