methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane

C16H28O — CID 517651

IUPACmethanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane
SMILESC=C1CCC23CC1C(C)(C)C2CCC3C.CO
InChIInChI=1S/C15H24.CH4O/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2;1-2/h11-13H,1,5-9H2,2-4H3;2H,1H3
InChIKeySWCMSGIGSPOMRJ-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.02
Rot. Bonds

About methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane

methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane (PubChem CID 517651) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane.

Molecular Properties

Compound Namemethanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane
PubChem CID517651
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Namemethanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane
SMILESC=C1CCC23CC1C(C)(C)C2CCC3C.CO
InChIInChI=1S/C15H24.CH4O/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2;1-2/h11-13H,1,5-9H2,2-4H3;2H,1H3
InChIKeySWCMSGIGSPOMRJ-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
CID 67218234
(1R,2S,5R,7R,9R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
CID 133083101
(1S,2R,5R,7R)-2,6,6-trimethyl-8-oxatricyclo[5.4.1.01,5]dodecan-9-one
CID 15379502
(NE)-N-(2,6,6-trimethyl-8-methylidene-4-tricyclo[5.3.1.01,5]undecanylidene)hydroxylamine
CID 139836558
(1S,2R,5R,7R)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-7-ol
CID 91751112
(1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 150596922
(1S,2S,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 1201552
1-[(1R,2R,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone
CID 67678962
propan-2-one;2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 67218541
(1R,8R)-8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol
CID 146158844
(1R,3aR,5S,6R,7aR)-7a-ethyl-1,4,4-trimethyl-2,3,3a,5,6,7-hexahydro-1H-indene-5,6-diol
CID 129073791
[(1S,2R,5S,7R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] acetate
CID 122610127

Frequently Asked Questions

What is the IUPAC name of methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane?
The IUPAC name of methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane (CID 517651) is methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane.
What is the SMILES notation for methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane?
The canonical SMILES for methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane is C=C1CCC23CC1C(C)(C)C2CCC3C.CO.
What is the InChIKey of methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane?
The InChIKey is SWCMSGIGSPOMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.CH4O/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2;1-2/h11-13H,1,5-9H2,2-4H3;2H,1H3.
What are the key properties of methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane?
methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane has a molecular weight of 236.40 g/mol, XLogP of 4.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane is sourced from PubChem (CID 517651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).