3,3-dimethyl-5-methylidene-1-pentoxycyclohexene

C14H24O — CID 140979510

IUPAC3,3-dimethyl-5-methylidene-1-pentoxycyclohexene
SMILESC=C1CC(OCCCCC)=CC(C)(C)C1
InChIInChI=1S/C14H24O/c1-5-6-7-8-15-13-9-12(2)10-14(3,4)11-13/h11H,2,5-10H2,1,3-4H3
InChIKeyKIQCJHYAZWCXSV-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.45
Rot. Bonds5

About 3,3-dimethyl-5-methylidene-1-pentoxycyclohexene

3,3-dimethyl-5-methylidene-1-pentoxycyclohexene (PubChem CID 140979510) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 3,3-dimethyl-5-methylidene-1-pentoxycyclohexene.

Molecular Properties

Compound Name3,3-dimethyl-5-methylidene-1-pentoxycyclohexene
PubChem CID140979510
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name3,3-dimethyl-5-methylidene-1-pentoxycyclohexene
SMILESC=C1CC(OCCCCC)=CC(C)(C)C1
InChIInChI=1S/C14H24O/c1-5-6-7-8-15-13-9-12(2)10-14(3,4)11-13/h11H,2,5-10H2,1,3-4H3
InChIKeyKIQCJHYAZWCXSV-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 150879806
2,2,6,6-tetramethyl-4-octadecoxy-1,3-dihydropyridine
CID 141244938
1-nonoxycyclopenta-1,3-diene
CID 175032458
1-methyl-3-octoxycyclohex-3-ene-1-carbaldehyde
CID 142267503
2-[2,5-didodecoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 69080329
1,4-dipentoxybenzene
CID 18314717
4,9,14,19,24,29,31,33,35,37,39,41-dodecaoctoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18,20,23,25,28,31,33,35-octadecaene
CID 56647445
2-[1,5-dihexoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 58789473
4,4,5,5-tetramethyl-2-(4-octoxyphenyl)-1,3,2-dioxaborolane
CID 130161708
2-[1,5-dioctoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102216227
(4-dimethoxyboranyl-2,3,5,6-tetraoctoxyphenyl)-dimethoxyborane
CID 10652542
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-methylidene-1-pentoxycyclohexene?
The IUPAC name of 3,3-dimethyl-5-methylidene-1-pentoxycyclohexene (CID 140979510) is 3,3-dimethyl-5-methylidene-1-pentoxycyclohexene.
What is the SMILES notation for 3,3-dimethyl-5-methylidene-1-pentoxycyclohexene?
The canonical SMILES for 3,3-dimethyl-5-methylidene-1-pentoxycyclohexene is C=C1CC(OCCCCC)=CC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-5-methylidene-1-pentoxycyclohexene?
The InChIKey is KIQCJHYAZWCXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-5-6-7-8-15-13-9-12(2)10-14(3,4)11-13/h11H,2,5-10H2,1,3-4H3.
What are the key properties of 3,3-dimethyl-5-methylidene-1-pentoxycyclohexene?
3,3-dimethyl-5-methylidene-1-pentoxycyclohexene has a molecular weight of 208.34 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-methylidene-1-pentoxycyclohexene is sourced from PubChem (CID 140979510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).