1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane

C16H28 — CID 143368961

IUPAC1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane
SMILESC=CCC1(C)CC2(C)CC(C)CC(C)(C1)C2
InChIInChI=1S/C16H28/c1-6-7-14(3)10-15(4)8-13(2)9-16(5,11-14)12-15/h6,13H,1,7-12H2,2-5H3
InChIKeyNPWKAHMMCNBAQH-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.20
Rot. Bonds2

About 1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane

1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane (PubChem CID 143368961) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane
PubChem CID143368961
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane
SMILESC=CCC1(C)CC2(C)CC(C)CC(C)(C1)C2
InChIInChI=1S/C16H28/c1-6-7-14(3)10-15(4)8-13(2)9-16(5,11-14)12-15/h6,13H,1,7-12H2,2-5H3
InChIKeyNPWKAHMMCNBAQH-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane
CID 149337768
(4-methyl-4-prop-2-enyloxolan-2-yl)methanol
CID 130147797
(3S,5R)-1,3,5,7,9,11-hexamethylbicyclo[5.5.1]tridecane
CID 59096410
3,3,5-trimethyl-5-prop-2-enylcyclohexan-1-one
CID 14874840
1-ethenyl-1,3,3,5-tetramethylcyclohexane
CID 20692079
1,1-dichloro-2-methyl-2-prop-2-enylcyclopropane
CID 70399256
3,5-dimethyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 165442273
3-methyl-3-prop-2-enylcyclopentan-1-one
CID 10034694
3-methyl-1-prop-2-enylcyclopentan-1-ol
CID 10034708
(3R,5S)-3,5-dimethyl-N-prop-2-enyladamantane-1-carboxamide
CID 97170508
1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
CID 144643068
1-(2,2-dimethylcyclopropyl)but-3-en-1-one
CID 107003815

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane?
The IUPAC name of 1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane (CID 143368961) is 1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane.
What is the SMILES notation for 1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane?
The canonical SMILES for 1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane is C=CCC1(C)CC2(C)CC(C)CC(C)(C1)C2.
What is the InChIKey of 1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane?
The InChIKey is NPWKAHMMCNBAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-6-7-14(3)10-15(4)8-13(2)9-16(5,11-14)12-15/h6,13H,1,7-12H2,2-5H3.
What are the key properties of 1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane?
1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane has a molecular weight of 220.40 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetramethyl-3-prop-2-enylbicyclo[3.3.1]nonane is sourced from PubChem (CID 143368961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).