8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane

C18H30O — CID 123684704

IUPAC8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane
SMILESC=C(OC1CC2CC1C1CCCC21)C(C)C(C)(C)C
InChIInChI=1S/C18H30O/c1-11(18(3,4)5)12(2)19-17-10-13-9-16(17)15-8-6-7-14(13)15/h11,13-17H,2,6-10H2,1,3-5H3
InChIKeyCSYJZBQPBWLUGP-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.02
Rot. Bonds3

About 8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane

8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane (PubChem CID 123684704) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane
PubChem CID123684704
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane
SMILESC=C(OC1CC2CC1C1CCCC21)C(C)C(C)(C)C
InChIInChI=1S/C18H30O/c1-11(18(3,4)5)12(2)19-17-10-13-9-16(17)15-8-6-7-14(13)15/h11,13-17H,2,6-10H2,1,3-5H3
InChIKeyCSYJZBQPBWLUGP-UHFFFAOYSA-N
XLogP5.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(1S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl] 2-methylprop-2-enoate
CID 102408492
8-buta-1,3-dien-2-yloxytricyclo[5.2.1.02,6]decane
CID 20676852
8-tricyclo[5.2.1.02,6]decanyl 2-ethyl-2-methylbut-3-enoate
CID 144690452
(8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane
CID 144560976
2-tert-butyl-2,3,3-trimethyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)butan-1-ol
CID 123673704
potassium [(1R,2S,6S,7R)-8-tricyclo[5.2.1.02,6]decanyl]oxymethanedithioate
CID 131841816
potassium 8-tricyclo[5.2.1.02,6]decanyloxymethanedithioic acid
CID 45479729
azane;8-tricyclo[5.2.1.02,6]decanyl 2,2,2-trifluoroacetate
CID 174404217
2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate
CID 22898239
2-tert-butyl-2,4,4-trimethyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)pentan-1-ol
CID 123861647
(1S,2S,6S,7S,8R)-8-ethenoxytricyclo[5.2.1.02,6]decane
CID 102071717
8-(2-methylprop-1-enoxy)tricyclo[5.2.1.02,6]decane
CID 59602559

Frequently Asked Questions

What is the IUPAC name of 8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane (CID 123684704) is 8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane is C=C(OC1CC2CC1C1CCCC21)C(C)C(C)(C)C.
What is the InChIKey of 8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane?
The InChIKey is CSYJZBQPBWLUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-11(18(3,4)5)12(2)19-17-10-13-9-16(17)15-8-6-7-14(13)15/h11,13-17H,2,6-10H2,1,3-5H3.
What are the key properties of 8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane?
8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane has a molecular weight of 262.44 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 123684704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).